1-azanyl-8-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 1-azanyl-8-[[4-[(4-nitro-2-sulfo-phenyl)amino]phenyl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 1-amino-8-[4-(4-nitro-2-sulfo-anilino)phenyl]azo-naphthalene-2-sulfonic acid CAS Name: 1-amino-8-[4-(4-nitro-2-sulfoanilino)phenyl]azo-2-naphthalenesulfonic acid IUPAC Name: 1-amino-8-[[4-(4-nitro-2-sulfoanilino)phenyl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 1-amino-8-[4-(4-nitro-2-sulfo-anilino)phenyl]azo-naphthalene-2-sulfonic acid Formula: C22H17N5O8S2 MolecularWeight: 543.52908

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)C(=C(C=C2)S(=O)(=O)O)N

Isomeric SMILES

C1=CC2=C(C(=C1)N=NC3=CC=C(C=C3)NC4=C(C=C(C=C4)[N+](=O)[O-])S(=O)(=O)O)C(=C(C=C2)S(=O)(=O)O)N

InChI

InChI=1S/C22H17N5O8S2/c23-22-19(36(30,31)32)11-4-13-2-1-3-18(21(13)22)26-25-15-7-5-14(6-8-15)24-17-10-9-16(27(28)29)12-20(17)37(33,34)35/h1-12,24H,23H2,(H,30,31,32)(H,33,34,35)