[(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] 4-chloranylbenzoate

Systemtic Name: [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] 4-chloranylbenzoate Openeye Name: [(1S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethyl-nonyl] 4-chlorobenzoate CAS Name: 4-chlorobenzoic acid [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] ester IUPAC Name: [(3S)-11-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]undecan-3-yl] 4-chlorobenzoate Traditional Name: 4-chlorobenzoic acid [(1S)-9-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-ethyl-nonyl] ester Formula: C23H35ClO4 MolecularWeight: 410.9746

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCCCCCCCC1COC(O1)(C)C)OC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC[C@@H](CCCCCCCC[C@@H]1COC(O1)(C)C)OC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C23H35ClO4/c1-4-20(27-22(25)18-13-15-19(24)16-14-18)11-9-7-5-6-8-10-12-21-17-26-23(2,3)28-21/h13-16,20-21H,4-12,17H2,1-3H3/t20-,21+/m0/s1