(4-oxidanylidene-4-phenyl-3-phenylsulfanyl-1-phosphono-butyl)phosphonic acid

Systemtic Name: (4-oxidanylidene-4-phenyl-3-phenylsulfanyl-1-phosphono-butyl)phosphonic acid Openeye Name: (4-oxo-4-phenyl-3-phenylsulfanyl-1-phosphono-butyl)phosphonic acid CAS Name: [4-oxo-4-phenyl-3-(phenylthio)-1-phosphonobutyl]phosphonic acid IUPAC Name: (4-oxo-4-phenyl-3-phenylsulfanyl-1-phosphonobutyl)phosphonic acid Traditional Name: [4-keto-4-phenyl-3-(phenylthio)-1-phosphono-butyl]phosphonic acid Formula: C16H18O7P2S MolecularWeight: 416.322442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)SC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CC(P(=O)(O)O)P(=O)(O)O)SC2=CC=CC=C2

InChI

InChI=1S/C16H18O7P2S/c17-16(12-7-3-1-4-8-12)14(26-13-9-5-2-6-10-13)11-15(24(18,19)20)25(21,22)23/h1-10,14-15H,11H2,(H2,18,19,20)(H2,21,22,23)