[4-(5-octyl-1,3-dithian-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate

Systemtic Name: [4-(5-octyl-1,3-dithian-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Openeye Name: [4-(5-octyl-1,3-dithian-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate CAS Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-(5-octyl-1,3-dithian-2-yl)phenyl] ester IUPAC Name: [4-(5-octyl-1,3-dithian-2-yl)phenyl] 2,2-dimethyl-1,3-dioxolane-4-carboxylate Traditional Name: 2,2-dimethyl-1,3-dioxolane-4-carboxylic acid [4-(5-octyl-1,3-dithian-2-yl)phenyl] ester Formula: C24H36O4S2 MolecularWeight: 452.67024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1CSC(SC1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

Isomeric SMILES

CCCCCCCCC1CSC(SC1)C2=CC=C(C=C2)OC(=O)C3COC(O3)(C)C

InChI

InChI=1S/C24H36O4S2/c1-4-5-6-7-8-9-10-18-16-29-23(30-17-18)19-11-13-20(14-12-19)27-22(25)21-15-26-24(2,3)28-21/h11-14,18,21,23H,4-10,15-17H2,1-3H3