4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzene-1,3-disulfonate

Systemtic Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzene-1,3-disulfonate Openeye Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzene-1,3-disulfonate CAS Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzene-1,3-disulfonate IUPAC Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzene-1,3-disulfonate Traditional Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzene-1,3-disulfonate Formula: C16H8N2O6S3-2 MolecularWeight: 420.43952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C(=CC3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])C#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)/C(=C\C3=C(C=C(C=C3)S(=O)(=O)[O-])S(=O)(=O)[O-])/C#N

InChI

InChI=1S/C16H10N2O6S3/c17-9-11(16-18-13-3-1-2-4-14(13)25-16)7-10-5-6-12(26(19,20)21)8-15(10)27(22,23)24/h1-8H,(H,19,20,21)(H,22,23,24)/p-2/b11-7-