7-[[4-azanyl-2-methyl-3-(naphthalen-1-yldiazenyl)-5-sulfo-phenyl]diazenyl]naphthalene-1-sulfonic acid

Systemtic Name: 7-[[4-azanyl-2-methyl-3-(naphthalen-1-yldiazenyl)-5-sulfo-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 7-[4-amino-2-methyl-3-(1-naphthylazo)-5-sulfo-phenyl]azonaphthalene-1-sulfonic acid CAS Name: 7-[4-amino-2-methyl-3-(1-naphthalenylazo)-5-sulfophenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 7-[[4-amino-2-methyl-3-(naphthalen-1-yldiazenyl)-5-sulfophenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 7-[4-amino-2-methyl-3-(1-naphthylazo)-5-sulfo-phenyl]azonaphthalene-1-sulfonic acid Formula: C27H21N5O6S2 MolecularWeight: 575.61554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C=C2)S(=O)(=O)O)N)N=NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=C(C=C1N=NC2=CC3=C(C=CC=C3S(=O)(=O)O)C=C2)S(=O)(=O)O)N)N=NC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C27H21N5O6S2/c1-16-23(31-29-19-13-12-18-8-5-11-24(21(18)14-19)39(33,34)35)15-25(40(36,37)38)26(28)27(16)32-30-22-10-4-7-17-6-2-3-9-20(17)22/h2-15H,28H2,1H3,(H,33,34,35)(H,36,37,38)