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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)N)C)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C5=C(C=CC(=C5)S(=O)(=O)O)C=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)N)C)N=NC2=C3C=C(C=CC3=C(C=C2)N=NC4=C(C5=C(C=CC(=C5)S(=O)(=O)O)C=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

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