[4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-methylbenzenesulfonate

Systemtic Name: [4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-methylbenzenesulfonate Openeye Name: [4-[ethoxy(sec-butylsulfanyl)phosphoryl]sulfanylphenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[[(butan-2-ylthio)-ethoxyphosphoryl]thio]phenyl] ester IUPAC Name: [4-[butan-2-ylsulfanyl(ethoxy)phosphoryl]sulfanylphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[[ethoxy-(sec-butylthio)phosphoryl]thio]phenyl] ester Formula: C19H25O5PS3 MolecularWeight: 460.567561

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)SP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)SP(=O)(OCC)SC1=CC=C(C=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C19H25O5PS3/c1-5-16(4)26-25(20,23-6-2)27-18-11-9-17(10-12-18)24-28(21,22)19-13-7-15(3)8-14-19/h7-14,16H,5-6H2,1-4H3