[(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-pentadecyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,3S)-3-[(4-methoxyphenyl)methoxy]-2-oxidanyl-pentadecyl] 4-methylbenzenesulfonate Openeye Name: [(2S,3S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]pentadecyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]pentadecyl] ester IUPAC Name: [(2S,3S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]pentadecyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,3S)-2-hydroxy-3-p-anisyloxy-pentadecyl] ester Formula: C30H46O6S MolecularWeight: 534.74764

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=C(C=C2)OC

Isomeric SMILES

CCCCCCCCCCCC[C@@H]([C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O)OCC2=CC=C(C=C2)OC

InChI

InChI=1S/C30H46O6S/c1-4-5-6-7-8-9-10-11-12-13-14-30(35-23-26-17-19-27(34-3)20-18-26)29(31)24-36-37(32,33)28-21-15-25(2)16-22-28/h15-22,29-31H,4-14,23-24H2,1-3H3/t29-,30-/m0/s1