[(3S)-3-oxidanyl-4-phenylmethoxy-butyl] 2,4,6-tri(propan-2-yl)benzenesulfonate

Systemtic Name: [(3S)-3-oxidanyl-4-phenylmethoxy-butyl] 2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: [(3S)-4-benzyloxy-3-hydroxy-butyl] 2,4,6-triisopropylbenzenesulfonate CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid [(3S)-3-hydroxy-4-phenylmethoxybutyl] ester IUPAC Name: [(3S)-3-hydroxy-4-phenylmethoxybutyl] 2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: 2,4,6-triisopropylbenzenesulfonic acid [(3S)-4-benzoxy-3-hydroxy-butyl] ester Formula: C26H38O5S MolecularWeight: 462.64192

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OCCC(COCC2=CC=CC=C2)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OCC[C@@H](COCC2=CC=CC=C2)O)C(C)C

InChI

InChI=1S/C26H38O5S/c1-18(2)22-14-24(19(3)4)26(25(15-22)20(5)6)32(28,29)31-13-12-23(27)17-30-16-21-10-8-7-9-11-21/h7-11,14-15,18-20,23,27H,12-13,16-17H2,1-6H3/t23-/m0/s1