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

Systemtic Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-ethenyl]benzene-1,3-disulfonic acid Openeye Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzene-1,3-disulfonic acid CAS Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzene-1,3-disulfonic acid IUPAC Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyanoethenyl]benzene-1,3-disulfonic acid Traditional Name: 4-[(Z)-2-(1,3-benzothiazol-2-yl)-2-cyano-vinyl]benzene-1,3-disulfonic acid Formula: C16H10N2O6S3 MolecularWeight: 422.4554

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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)/b11-7-