3-[[4-[(4-azanyl-2-methyl-phenyl)diazenyl]-6-sulfo-naphthalen-1-yl]diazenyl]-7-methyl-naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[(4-azanyl-2-methyl-phenyl)diazenyl]-6-sulfo-naphthalen-1-yl]diazenyl]-7-methyl-naphthalene-1,5-disulfonic acid Openeye Name: 3-[[4-(4-amino-2-methyl-phenyl)azo-6-sulfo-1-naphthyl]azo]-7-methyl-naphthalene-1,5-disulfonic acid CAS Name: 3-[[4-(4-amino-2-methylphenyl)azo-6-sulfo-1-naphthalenyl]azo]-7-methylnaphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(4-amino-2-methylphenyl)diazenyl]-6-sulfonaphthalen-1-yl]diazenyl]-7-methylnaphthalene-1,5-disulfonic acid Traditional Name: 3-[[4-(4-amino-2-methyl-phenyl)azo-6-sulfo-1-naphthyl]azo]-7-methyl-naphthalene-1,5-disulfonic acid Formula: C28H23N5O9S3 MolecularWeight: 669.70532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C=C(C2=C1)S(=O)(=O)O)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=C(C=C(C=C5)N)C)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C2C=C(C=C(C2=C1)S(=O)(=O)O)N=NC3=C4C=CC(=CC4=C(C=C3)N=NC5=C(C=C(C=C5)N)C)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H23N5O9S3/c1-15-9-22-23(27(10-15)44(37,38)39)12-18(13-28(22)45(40,41)42)30-32-25-7-8-26(33-31-24-6-3-17(29)11-16(24)2)21-14-19(43(34,35)36)4-5-20(21)25/h3-14H,29H2,1-2H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)