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

Systemtic Name: 3-[[4-[(4-azanyl-2-methyl-phenyl)diazenyl]-7-sulfo-naphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[4-(4-amino-2-methyl-phenyl)azo-7-sulfo-1-naphthyl]azo]naphthalene-1,5-disulfonic acid CAS Name: 3-[[4-(4-amino-2-methylphenyl)azo-7-sulfo-1-naphthalenyl]azo]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(4-amino-2-methylphenyl)diazenyl]-7-sulfonaphthalen-1-yl]diazenyl]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[4-(4-amino-2-methyl-phenyl)azo-7-sulfo-1-naphthyl]azo]naphthalene-1,5-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=CC(=C5C=CC=C(C5=C4)S(=O)(=O)O)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=CC(=C5C=CC=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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