[(2S,4R)-5-(1-ethoxyethoxy)-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate

Systemtic Name: [(2S,4R)-5-(1-ethoxyethoxy)-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate Openeye Name: [(2S,4R)-5-(1-ethoxyethoxy)-2,4-dimethyl-pentyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(2S,4R)-5-(1-ethoxyethoxy)-2,4-dimethylpentyl] ester IUPAC Name: [(2S,4R)-5-(1-ethoxyethoxy)-2,4-dimethylpentyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(2S,4R)-5-(1-ethoxyethoxy)-2,4-dimethyl-pentyl] ester Formula: C18H30O5S MolecularWeight: 358.4928

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C)OCC(C)CC(C)COS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(C)OC[C@H](C)C[C@H](C)COS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H30O5S/c1-6-21-17(5)22-12-15(3)11-16(4)13-23-24(19,20)18-9-7-14(2)8-10-18/h7-10,15-17H,6,11-13H2,1-5H3/t15-,16+,17?/m1/s1