[(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phosphono-prop-2-enyl]phosphonic acid

Systemtic Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phosphono-prop-2-enyl]phosphonic acid Openeye Name: [(Z)-2-(1,3-benzothiazol-2-yl)-1-phosphono-3-(p-tolyl)allyl]phosphonic acid CAS Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phosphonoprop-2-enyl]phosphonic acid IUPAC Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(4-methylphenyl)-1-phosphonoprop-2-enyl]phosphonic acid Traditional Name: [(Z)-2-(1,3-benzothiazol-2-yl)-1-phosphono-3-(p-tolyl)allyl]phosphonic acid Formula: C17H17NO6P2S MolecularWeight: 425.332502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C=C(C2=NC3=CC=CC=C3S2)C(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC1=CC=C(C=C1)/C=C(\C2=NC3=CC=CC=C3S2)/C(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C17H17NO6P2S/c1-11-6-8-12(9-7-11)10-13(17(25(19,20)21)26(22,23)24)16-18-14-4-2-3-5-15(14)27-16/h2-10,17H,1H3,(H2,19,20,21)(H2,22,23,24)/b13-10+