2-[(E)-2-isothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 2-[(E)-2-isothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 2-[(E)-2-isothiocyanato-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 2-[(E)-2-isothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 2-[(E)-2-isothiocyanato-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 2-[(E)-2-isothiocyanato-2-(2-sulfophenyl)vinyl]besylic acid Formula: C15H11NO6S3 MolecularWeight: 397.44594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C2=CC=CC=C2S(=O)(=O)O)N=C=S)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C2=CC=CC=C2S(=O)(=O)O)/N=C=S)S(=O)(=O)O

InChI

InChI=1S/C15H11NO6S3/c17-24(18,19)14-7-3-1-5-11(14)9-13(16-10-23)12-6-2-4-8-15(12)25(20,21)22/h1-9H,(H,17,18,19)(H,20,21,22)/b13-9+