methyl 4-[(4-chloranyl-2-methyl-phenoxy)-(2-methylpropylsulfanyl)phosphoryl]oxybenzoate

Systemtic Name: methyl 4-[(4-chloranyl-2-methyl-phenoxy)-(2-methylpropylsulfanyl)phosphoryl]oxybenzoate Openeye Name: methyl 4-[(4-chloro-2-methyl-phenoxy)-isobutylsulfanyl-phosphoryl]oxybenzoate CAS Name: 4-[(4-chloro-2-methylphenoxy)-(2-methylpropylthio)phosphoryl]oxybenzoic acid methyl ester IUPAC Name: methyl 4-[(4-chloro-2-methylphenoxy)-(2-methylpropylsulfanyl)phosphoryl]oxybenzoate Traditional Name: 4-[(4-chloro-2-methyl-phenoxy)-(isobutylthio)phosphoryl]oxybenzoic acid methyl ester Formula: C19H22ClO5PS MolecularWeight: 428.866741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Cl)OP(=O)(OC2=CC=C(C=C2)C(=O)OC)SCC(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)Cl)O[P@](=O)(OC2=CC=C(C=C2)C(=O)OC)SCC(C)C

InChI

InChI=1S/C19H22ClO5PS/c1-13(2)12-27-26(22,25-18-10-7-16(20)11-14(18)3)24-17-8-5-15(6-9-17)19(21)23-4/h5-11,13H,12H2,1-4H3/t26-/m0/s1