[4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-chloranyl-4-dodecoxy-benzoate

Systemtic Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-chloranyl-4-dodecoxy-benzoate Openeye Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-chloro-4-dodecoxy-benzoate CAS Name: 3-chloro-4-dodecoxybenzoic acid [4-[(3S)-3-methyl-1-oxopentoxy]phenyl] ester IUPAC Name: [4-[(3S)-3-methylpentanoyl]oxyphenyl] 3-chloro-4-dodecoxybenzoate Traditional Name: 3-chloro-4-lauryloxy-benzoic acid [4-[(3S)-3-methylpentanoyl]oxyphenyl] ester Formula: C31H43ClO5 MolecularWeight: 531.12312

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)CC(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)C[C@@H](C)CC)Cl

InChI

InChI=1S/C31H43ClO5/c1-4-6-7-8-9-10-11-12-13-14-21-35-29-20-15-25(23-28(29)32)31(34)37-27-18-16-26(17-19-27)36-30(33)22-24(3)5-2/h15-20,23-24H,4-14,21-22H2,1-3H3/t24-/m0/s1