3-ethenyl-2-[4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]oxycarbonyl-benzoic acid

Systemtic Name: 3-ethenyl-2-[4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]oxycarbonyl-benzoic acid Openeye Name: 2-[[4-(4-sulfophenyl)azo-1-naphthyl]oxycarbonyl]-3-vinyl-benzoic acid CAS Name: 3-ethenyl-2-[oxo-[[4-(4-sulfophenyl)azo-1-naphthalenyl]oxy]methyl]benzoic acid IUPAC Name: 3-ethenyl-2-[4-[(4-sulfophenyl)diazenyl]naphthalen-1-yl]oxycarbonylbenzoic acid Traditional Name: 2-[4-(4-sulfophenyl)azo-1-naphthoxy]carbonyl-3-vinyl-benzoic acid Formula: C26H18N2O7S MolecularWeight: 502.49532

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1=C(C(=CC=C1)C(=O)O)C(=O)OC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)S(=O)(=O)O

Isomeric SMILES

C=CC1=C(C(=CC=C1)C(=O)O)C(=O)OC2=CC=C(C3=CC=CC=C32)N=NC4=CC=C(C=C4)S(=O)(=O)O

InChI

InChI=1S/C26H18N2O7S/c1-2-16-6-5-9-21(25(29)30)24(16)26(31)35-23-15-14-22(19-7-3-4-8-20(19)23)28-27-17-10-12-18(13-11-17)36(32,33)34/h2-15H,1H2,(H,29,30)(H,32,33,34)