[(Z)-6-(hydroxymethyl)-2-methyl-1,3-bis(oxidanyl)oct-6-en-2-yl] 4-methylbenzenesulfonate

Systemtic Name: [(Z)-6-(hydroxymethyl)-2-methyl-1,3-bis(oxidanyl)oct-6-en-2-yl] 4-methylbenzenesulfonate Openeye Name: [(Z)-2-hydroxy-1,5-bis(hydroxymethyl)-1-methyl-hept-5-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(Z)-1,3-dihydroxy-6-(hydroxymethyl)-2-methyloct-6-en-2-yl] ester IUPAC Name: [(Z)-1,3-dihydroxy-6-(hydroxymethyl)-2-methyloct-6-en-2-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(Z)-2-hydroxy-1-methyl-1,5-dimethylol-hept-5-enyl] ester Formula: C17H26O6S MolecularWeight: 358.44974

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Descriptors Computed from Structure

Canonical SMILES:

CC=C(CCC(C(C)(CO)OS(=O)(=O)C1=CC=C(C=C1)C)O)CO

Isomeric SMILES

C/C=C(/CCC(C(C)(CO)OS(=O)(=O)C1=CC=C(C=C1)C)O)\CO

InChI

InChI=1S/C17H26O6S/c1-4-14(11-18)7-10-16(20)17(3,12-19)23-24(21,22)15-8-5-13(2)6-9-15/h4-6,8-9,16,18-20H,7,10-12H2,1-3H3/b14-4-