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

Systemtic Name: 2-[[4-azanyl-2-methyl-3-(naphthalen-1-yldiazenyl)-5-sulfo-phenyl]diazenyl]naphthalene-1-sulfonic acid Openeye Name: 2-[4-amino-2-methyl-3-(1-naphthylazo)-5-sulfo-phenyl]azonaphthalene-1-sulfonic acid CAS Name: 2-[4-amino-2-methyl-3-(1-naphthalenylazo)-5-sulfophenyl]azo-1-naphthalenesulfonic acid IUPAC Name: 2-[[4-amino-2-methyl-3-(naphthalen-1-yldiazenyl)-5-sulfophenyl]diazenyl]naphthalene-1-sulfonic acid Traditional Name: 2-[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=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N)N=NC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=C(C(=C(C=C1N=NC2=C(C3=CC=CC=C3C=C2)S(=O)(=O)O)S(=O)(=O)O)N)N=NC4=CC=CC5=CC=CC=C54

InChI

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