[2-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] hexane-1-sulfonate

Systemtic Name: [2-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] hexane-1-sulfonate Openeye Name: [2-[ethoxy(isobutylsulfanyl)phosphoryl]sulfanylphenyl] hexane-1-sulfonate CAS Name: 1-hexanesulfonic acid IUPAC Name: [2-[ethoxy(2-methylpropylsulfanyl)phosphoryl]sulfanylphenyl] hexane-1-sulfonate Traditional Name: hexane-1-sulfonic acid [2-[[ethoxy-(isobutylthio)phosphoryl]thio]phenyl] ester Formula: C18H31O5PS3 MolecularWeight: 454.604501

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCS(=O)(=O)OC1=CC=CC=C1SP(=O)(OCC)SCC(C)C

Isomeric SMILES

CCCCCCS(=O)(=O)OC1=CC=CC=C1SP(=O)(OCC)SCC(C)C

InChI

InChI=1S/C18H31O5PS3/c1-5-7-8-11-14-27(20,21)23-17-12-9-10-13-18(17)26-24(19,22-6-2)25-15-16(3)4/h9-10,12-13,16H,5-8,11,14-15H2,1-4H3