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

Systemtic Name: 5-isothiocyanato-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-isothiocyanato-2-[(E)-2-(2-sulfophenyl)vinyl]benzenesulfonic acid CAS Name: 5-isothiocyanato-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-isothiocyanato-2-[(E)-2-(2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-isothiocyanato-2-[(E)-2-(2-sulfophenyl)vinyl]besylic acid Formula: C15H11NO6S3 MolecularWeight: 397.44594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C15H11NO6S3/c17-24(18,19)14-4-2-1-3-11(14)5-6-12-7-8-13(16-10-23)9-15(12)25(20,21)22/h1-9H,(H,17,18,19)(H,20,21,22)/b6-5+