5-azanyl-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-amino-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-[(E)-2-(4-isothiocyanato-2-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-[(E)-2-(4-isothiocyanato-2-sulfo-phenyl)vinyl]besylic acid Formula: C15H12N2O6S3 MolecularWeight: 412.46058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)N=C=S)S(=O)(=O)O

InChI

InChI=1S/C15H12N2O6S3/c16-12-5-3-10(14(7-12)25(18,19)20)1-2-11-4-6-13(17-9-24)8-15(11)26(21,22)23/h1-8H,16H2,(H,18,19,20)(H,21,22,23)/b2-1+