2-(prop-2-enoylamino)-5-[(2-sulfophenyl)diazenyl]benzenesulfonic acid

Systemtic Name: 2-(prop-2-enoylamino)-5-[(2-sulfophenyl)diazenyl]benzenesulfonic acid Openeye Name: 2-(prop-2-enoylamino)-5-(2-sulfophenyl)azo-benzenesulfonic acid CAS Name: 2-(1-oxoprop-2-enylamino)-5-(2-sulfophenyl)azobenzenesulfonic acid IUPAC Name: 2-(prop-2-enoylamino)-5-[(2-sulfophenyl)diazenyl]benzenesulfonic acid Traditional Name: 2-acrylamido-5-(2-sulfophenyl)azo-besylic acid Formula: C15H13N3O7S2 MolecularWeight: 411.40962

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)NC1=C(C=C(C=C1)N=NC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C=CC(=O)NC1=C(C=C(C=C1)N=NC2=CC=CC=C2S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C15H13N3O7S2/c1-2-15(19)16-11-8-7-10(9-14(11)27(23,24)25)17-18-12-5-3-4-6-13(12)26(20,21)22/h2-9H,1H2,(H,16,19)(H,20,21,22)(H,23,24,25)