[3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] butane-1-sulfonate

Systemtic Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] butane-1-sulfonate Openeye Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [3-[ethoxy(propylsulfanyl)phosphoryl]oxyphenyl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [3-[ethoxy-(propylthio)phosphoryl]oxyphenyl] ester Formula: C15H25O6PS2 MolecularWeight: 396.459161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC(=C1)OP(=O)(OCC)SCCC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC(=C1)OP(=O)(OCC)SCCC

InChI

InChI=1S/C15H25O6PS2/c1-4-7-12-24(17,18)21-15-10-8-9-14(13-15)20-22(16,19-6-3)23-11-5-2/h8-10,13H,4-7,11-12H2,1-3H3