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

Systemtic Name: 2-[[4-[(2-azanyl-6-methyl-phenyl)diazenyl]-7-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid Openeye Name: 2-[[4-(2-amino-6-methyl-phenyl)azo-7-sulfo-1-naphthyl]azo]naphthalene-1,7-disulfonic acid CAS Name: 2-[[4-(2-amino-6-methylphenyl)azo-7-sulfo-1-naphthalenyl]azo]naphthalene-1,7-disulfonic acid IUPAC Name: 2-[[4-[(2-amino-6-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,7-disulfonic acid Traditional Name: 2-[[4-(2-amino-6-methyl-phenyl)azo-7-sulfo-1-naphthyl]azo]naphthalene-1,7-disulfonic acid Formula: C27H21N5O9S3 MolecularWeight: 655.67874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N)N=NC2=C3C=CC(=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=C(C(=CC=C1)N)N=NC2=C3C=CC(=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/C27H21N5O9S3/c1-15-3-2-4-22(28)26(15)32-30-23-11-12-24(21-14-18(43(36,37)38)8-9-19(21)23)29-31-25-10-6-16-5-7-17(42(33,34)35)13-20(16)27(25)44(39,40)41/h2-14H,28H2,1H3,(H,33,34,35)(H,36,37,38)(H,39,40,41)