[4-[(2S)-2-methylbutanoyl]oxyphenyl] 3-chloranyl-4-dodecoxy-benzoate

Systemtic Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 3-chloranyl-4-dodecoxy-benzoate Openeye Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 3-chloro-4-dodecoxy-benzoate CAS Name: 3-chloro-4-dodecoxybenzoic acid [4-[(2S)-2-methyl-1-oxobutoxy]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 3-chloro-4-dodecoxybenzoate Traditional Name: 3-chloro-4-lauryloxy-benzoic acid [4-[(2S)-2-methylbutanoyl]oxyphenyl] ester Formula: C30H41ClO5 MolecularWeight: 517.09654

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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)C(C)CC)Cl

Isomeric SMILES

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

InChI

InChI=1S/C30H41ClO5/c1-4-6-7-8-9-10-11-12-13-14-21-34-28-20-15-24(22-27(28)31)30(33)36-26-18-16-25(17-19-26)35-29(32)23(3)5-2/h15-20,22-23H,4-14,21H2,1-3H3/t23-/m0/s1