2-[4-[methoxy(propylsulfanyl)phosphoryl]oxyphenyl]carbonylbenzoic acid

Systemtic Name: 2-[4-[methoxy(propylsulfanyl)phosphoryl]oxyphenyl]carbonylbenzoic acid Openeye Name: 2-[4-[methoxy(propylsulfanyl)phosphoryl]oxybenzoyl]benzoic acid CAS Name: 2-[[4-[methoxy-(propylthio)phosphoryl]oxyphenyl]-oxomethyl]benzoic acid IUPAC Name: 2-[4-[methoxy(propylsulfanyl)phosphoryl]oxybenzoyl]benzoic acid Traditional Name: 2-[4-[methoxy-(propylthio)phosphoryl]oxybenzoyl]benzoic acid Formula: C18H19O6PS MolecularWeight: 394.378621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCSP(=O)(OC)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCCSP(=O)(OC)OC1=CC=C(C=C1)C(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C18H19O6PS/c1-3-12-26-25(22,23-2)24-14-10-8-13(9-11-14)17(19)15-6-4-5-7-16(15)18(20)21/h4-11H,3,12H2,1-2H3,(H,20,21)