1-[bis(2-ethanoylsulfanylethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid

Systemtic Name: 1-[bis(2-ethanoylsulfanylethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Openeye Name: 1-[bis(2-acetylsulfanylethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid CAS Name: 1-[bis[[2-(acetylthio)ethoxy-oxomethoxy]methoxy]phosphoryl]-4-(3-phenoxyphenyl)-1-butanesulfonic acid IUPAC Name: 1-[bis(2-acetylsulfanylethoxycarbonyloxymethoxy)phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Traditional Name: 1-[bis[2-(acetylthio)ethoxycarbonyloxymethoxy]phosphoryl]-4-(3-phenoxyphenyl)butane-1-sulfonic acid Formula: C28H35O15PS3 MolecularWeight: 738.737261

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCOC(=O)OCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)OCOC(=O)OCCSC(=O)C

Isomeric SMILES

CC(=O)SCCOC(=O)OCOP(=O)(C(CCCC1=CC(=CC=C1)OC2=CC=CC=C2)S(=O)(=O)O)OCOC(=O)OCCSC(=O)C

InChI

InChI=1S/C28H35O15PS3/c1-21(29)45-16-14-37-27(31)39-19-41-44(33,42-20-40-28(32)38-15-17-46-22(2)30)26(47(34,35)36)13-7-9-23-8-6-12-25(18-23)43-24-10-4-3-5-11-24/h3-6,8,10-12,18,26H,7,9,13-17,19-20H2,1-2H3,(H,34,35,36)