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

Systemtic Name: [(2S)-2-oxidanyl-4-phenylmethoxy-butyl] 2,4,6-tri(propan-2-yl)benzenesulfonate Openeye Name: [(2S)-4-benzyloxy-2-hydroxy-butyl] 2,4,6-triisopropylbenzenesulfonate CAS Name: 2,4,6-tri(propan-2-yl)benzenesulfonic acid [(2S)-2-hydroxy-4-phenylmethoxybutyl] ester IUPAC Name: [(2S)-2-hydroxy-4-phenylmethoxybutyl] 2,4,6-tri(propan-2-yl)benzenesulfonate Traditional Name: 2,4,6-triisopropylbenzenesulfonic acid [(2S)-4-benzoxy-2-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)OCC(CCOCC2=CC=CC=C2)O)C(C)C

Isomeric SMILES

CC(C)C1=CC(=C(C(=C1)C(C)C)S(=O)(=O)OC[C@H](CCOCC2=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)31-17-23(27)12-13-30-16-21-10-8-7-9-11-21/h7-11,14-15,18-20,23,27H,12-13,16-17H2,1-6H3/t23-/m0/s1