4-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoylamino]benzenesulfonic acid

Systemtic Name: 4-[2-[2,3-bis(chloranyl)-4-sulfanyl-phenyl]prop-2-enoylamino]benzenesulfonic acid Openeye Name: 4-[2-(2,3-dichloro-4-sulfanyl-phenyl)prop-2-enoylamino]benzenesulfonic acid CAS Name: 4-[[2-(2,3-dichloro-4-mercaptophenyl)-1-oxoprop-2-enyl]amino]benzenesulfonic acid IUPAC Name: 4-[2-(2,3-dichloro-4-sulfanylphenyl)prop-2-enoylamino]benzenesulfonic acid Traditional Name: 4-[[2-(2,3-dichloro-4-mercapto-phenyl)acryloyl]amino]besylic acid Formula: C15H11Cl2NO4S2 MolecularWeight: 404.28814

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C=C(C1=C(C(=C(C=C1)S)Cl)Cl)C(=O)NC2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H11Cl2NO4S2/c1-8(11-6-7-12(23)14(17)13(11)16)15(19)18-9-2-4-10(5-3-9)24(20,21)22/h2-7,23H,1H2,(H,18,19)(H,20,21,22)