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

Systemtic Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)-1-phosphono-prop-2-enyl]phosphonic acid Openeye Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)-1-phosphono-allyl]phosphonic acid CAS Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)-1-phosphonoprop-2-enyl]phosphonic acid IUPAC Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)-1-phosphonoprop-2-enyl]phosphonic acid Traditional Name: [(Z)-2-(1,3-benzothiazol-2-yl)-3-(2-nitrophenyl)-1-phosphono-allyl]phosphonic acid Formula: C16H14N2O8P2S MolecularWeight: 456.303482

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(C2=NC3=CC=CC=C3S2)C(P(=O)(O)O)P(=O)(O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\C2=NC3=CC=CC=C3S2)/C(P(=O)(O)O)P(=O)(O)O)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O8P2S/c19-18(20)13-7-3-1-5-10(13)9-11(16(27(21,22)23)28(24,25)26)15-17-12-6-2-4-8-14(12)29-15/h1-9,16H,(H2,21,22,23)(H2,24,25,26)/b11-9+