8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl 4-methylbenzenesulfonate

Systemtic Name: 8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl 4-methylbenzenesulfonate Openeye Name: 8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl ester IUPAC Name: 8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-[(2-heptadecyl-1,3-dioxolan-4-yl)methoxy]octyl ester Formula: C36H64O6S MolecularWeight: 624.95476

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1OCC(O1)COCCCCCCCCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C36H64O6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-24-36-40-32-34(42-36)31-39-29-22-19-16-17-20-23-30-41-43(37,38)35-27-25-33(2)26-28-35/h25-28,34,36H,3-24,29-32H2,1-2H3