S-[(2S)-1-oxidanyl-3-[(4-phenoxyphenyl)methoxy]propan-2-yl] decanethioate

Systemtic Name: S-[(2S)-1-oxidanyl-3-[(4-phenoxyphenyl)methoxy]propan-2-yl] decanethioate Openeye Name: S-[(1S)-1-(hydroxymethyl)-2-[(4-phenoxyphenyl)methoxy]ethyl] decanethioate CAS Name: decanethioic acid S-[(2S)-1-hydroxy-3-[(4-phenoxyphenyl)methoxy]propan-2-yl] ester IUPAC Name: S-[(2S)-1-hydroxy-3-[(4-phenoxyphenyl)methoxy]propan-2-yl] decanethioate Traditional Name: decanethioic acid S-[(1S)-1-methylol-2-(4-phenoxybenzyl)oxy-ethyl] ester Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)SC(CO)COCC1=CC=C(C=C1)OC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCC(=O)S[C@@H](CO)COCC1=CC=C(C=C1)OC2=CC=CC=C2

InChI

InChI=1S/C26H36O4S/c1-2-3-4-5-6-7-11-14-26(28)31-25(19-27)21-29-20-22-15-17-24(18-16-22)30-23-12-9-8-10-13-23/h8-10,12-13,15-18,25,27H,2-7,11,14,19-21H2,1H3/t25-/m0/s1