[4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-3-methyl-phenyl] benzenesulfonate

Systemtic Name: [4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-3-methyl-phenyl] benzenesulfonate Openeye Name: [4-[ethoxy(isobutylsulfanyl)phosphoryl]oxy-3-methyl-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[ethoxy-(2-methylpropylthio)phosphoryl]oxy-3-methylphenyl] ester IUPAC Name: [4-[ethoxy(2-methylpropylsulfanyl)phosphoryl]oxy-3-methylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[ethoxy-(isobutylthio)phosphoryl]oxy-3-methyl-phenyl] ester Formula: C19H25O6PS2 MolecularWeight: 444.501961

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(OC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C)SCC(C)C

Isomeric SMILES

CCOP(=O)(OC1=C(C=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C)SCC(C)C

InChI

InChI=1S/C19H25O6PS2/c1-5-23-26(20,27-14-15(2)3)24-19-12-11-17(13-16(19)4)25-28(21,22)18-9-7-6-8-10-18/h6-13,15H,5,14H2,1-4H3