2-[1-(2-hexyl-1,3-dioxolan-2-yl)cyclopropyl]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(2-hexyl-1,3-dioxolan-2-yl)cyclopropyl]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[1-(2-hexyl-1,3-dioxolan-2-yl)cyclopropyl]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[1-(2-hexyl-1,3-dioxolan-2-yl)cyclopropyl]ethyl ester IUPAC Name: 2-[1-(2-hexyl-1,3-dioxolan-2-yl)cyclopropyl]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[1-(2-hexyl-1,3-dioxolan-2-yl)cyclopropyl]ethyl ester Formula: C21H32O5S MolecularWeight: 396.54078

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1(OCCO1)C2(CC2)CCOS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCCCCCC1(OCCO1)C2(CC2)CCOS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H32O5S/c1-3-4-5-6-11-21(24-16-17-25-21)20(12-13-20)14-15-26-27(22,23)19-9-7-18(2)8-10-19/h7-10H,3-6,11-17H2,1-2H3