C.I. Acid red 374

CAT: 0931-T85953-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T85953-01Size:100 mg

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CAS Number

6507-78-4

Target

Others

Related Pathways

Others

Bioactivity

C.I. Acid Red 374 is an acid red dye that can be adsorbed and removed by bentone clay (Bentone) .

Smiles

O=S(C(C=C1S(=O)([O-])=O)=CC2=C1C(/N=N/C3=CC=C(C=C3)C4(C5=CC=C(C=C5)/N=N/C6=C(C7=C(C=CC=C7)C(S(=O)([O-])=O)=C6)O)CCCCC4)=C(O)C=C2)([O-])=O.[Na+].[Na+].[Na+]

Molecular Formula

C38H29N4Na3O11S3

Molecular Weight

882.82

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

C.I. Acid Red 374

See other relationships...

CAS Number	6507-78-4
PubChem CID	135571027
IUPAC Name	trisodium;7-hydroxy-8-[[4-[1-[4-[(1-hydroxy-4-sulfonatonaphthalen-2-yl)diazenyl]phenyl]cyclohexyl]phenyl]diazenyl]naphthalene-1,3-disulfonate
Molecular Formula	C38H29N4Na3O11S3
Molecular Weight	882.8
Topological Polar Surface Area	287
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Heavy Atom Count	59
Formal Charge	0
Complexity	1700

SMILES

C1CCC(CC1)(C2=CC=C(C=C2)N=NC3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)[O-])O)C5=CC=C(C=C5)N=NC6=C(C=CC7=CC(=CC(=C76)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+].[Na+]

InChI

InChI=1S/C38H32N4O11S3.3Na/c43-32-17-8-23-20-28(54(45,46)47)21-34(56(51,52)53)35(23)36(32)42-40-27-15-11-25(12-16-27)38(18-4-1-5-19-38)24-9-13-26(14-10-24)39-41-31-22-33(55(48,49)50)29-6-2-3-7-30(29)37(31)44;;;/h2-3,6-17,20-22,43-44H,1,4-5,18-19H2,(H,45,46,47)(H,48,49,50)(H,51,52,53);;;/q;3*+1/p-3

InChIKey

NWOFPTMLQCEISY-UHFFFAOYSA-K

Chemical Structure

2D Structure

CAS: 6507-78-4

CID: 135571027

Formula: C38H29N4Na3O11S3

MW: 882.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	882.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	6
Exact Mass	882.06880412
Monoisotopic Mass	882.06880412
Topological Polar Surface Area	287 Å²
Heavy Atom Count	59
Formal Charge	0
Complexity	1700
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	4
Compound Is Canonicalized	Yes

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C.I. Acid red 374

Chemical Information

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