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Reference substances

Reference substances

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General information

Inventory

EC number:
229-246-9
EC name:
4-[[5-(anilino)carbonyl-2-methoxyphenyl]azo]-3-hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
CAS number:
6448-96-0

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Reference substance information

IUPAC name:
3-hydroxy-4-[(E)-2-[2-methoxy-5-(phenylcarbamoyl)phenyl]diazen-1-yl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
Synonyms
Names:
Identifier:
CAS number
6448-96-0
Identifier:
IUPAC name
3-hydroxy-4-[(E)-2-[2-methoxy-5-(phenylcarbamoyl)phenyl]diazen-1-yl]-N-(3-nitrophenyl)naphthalene-2-carboxamide
Identifier:
common name
C.I Pigment Red 31
3-hydroxy-4-{[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl}-N-(3-nitrophenyl)-2-naphthamide

CAS information

CAS number:
6448-96-0

Molecular and structural information

Molecular formula:
C31H23N5O6
Molecular weight:
561.544
SMILES notation:
O=C(Nc1cccc([N+](=O)[O-])c1)c1c(O)c(\N=N\c2c(OC)ccc(C(=O)Nc3ccccc3)c2)c2c(cccc2)c1
InChl:
1S/C31H23N5O6/c1-42-27-15-14-20(30(38)32-21-9-3-2-4-10-21)17-26(27)34-35-28-24-13-6-5-8-19(24)16-25(29(28)37)31(39)33-22-11-7-12-23(18-22)36(40)41/h2-18,37H,1H3,(H,32,38)(H,33,39)/b35-34+
Structural formula:
Chemical structure