(11E,14E)-1-(1,3-dioxolan-2-yl)-9-methylsulfanyl-9-(phenylsulfonyl)heptadeca-11,14-dien-8-ol

Systemtic Name: (11E,14E)-1-(1,3-dioxolan-2-yl)-9-methylsulfanyl-9-(phenylsulfonyl)heptadeca-11,14-dien-8-ol Openeye Name: (11E,14E)-9-(benzenesulfonyl)-1-(1,3-dioxolan-2-yl)-9-methylsulfanyl-heptadeca-11,14-dien-8-ol CAS Name: (11E,14E)-9-(benzenesulfonyl)-1-(1,3-dioxolan-2-yl)-9-(methylthio)-8-heptadeca-11,14-dienol IUPAC Name: (11E,14E)-9-(benzenesulfonyl)-1-(1,3-dioxolan-2-yl)-9-methylsulfanylheptadeca-11,14-dien-8-ol Traditional Name: (11E,14E)-9-besyl-1-(1,3-dioxolan-2-yl)-9-(methylthio)heptadeca-11,14-dien-8-ol Formula: C27H42O5S2 MolecularWeight: 510.74938

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Descriptors Computed from Structure

Canonical SMILES:

CCC=CCC=CCC(C(CCCCCCCC1OCCO1)O)(SC)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC/C=C/C/C=C/CC(C(CCCCCCCC1OCCO1)O)(SC)S(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C27H42O5S2/c1-3-4-5-6-10-16-21-27(33-2,34(29,30)24-17-12-11-13-18-24)25(28)19-14-8-7-9-15-20-26-31-22-23-32-26/h4-5,10-13,16-18,25-26,28H,3,6-9,14-15,19-23H2,1-2H3/b5-4+,16-10+