phenyl 2-butanoyloxy-3-chloranyl-4-dodecoxy-5-methyl-benzoate

Systemtic Name: phenyl 2-butanoyloxy-3-chloranyl-4-dodecoxy-5-methyl-benzoate Openeye Name: phenyl 2-butanoyloxy-3-chloro-4-dodecoxy-5-methyl-benzoate CAS Name: 3-chloro-4-dodecoxy-5-methyl-2-(1-oxobutoxy)benzoic acid phenyl ester IUPAC Name: phenyl 2-butanoyloxy-3-chloro-4-dodecoxy-5-methylbenzoate Traditional Name: 2-butyryloxy-3-chloro-4-lauryloxy-5-methyl-benzoic acid phenyl ester Formula: C30H41ClO5 MolecularWeight: 517.09654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=C(C=C(C(=C1Cl)OC(=O)CCC)C(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCOC1=C(C=C(C(=C1Cl)OC(=O)CCC)C(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C30H41ClO5/c1-4-6-7-8-9-10-11-12-13-17-21-34-28-23(3)22-25(29(27(28)31)36-26(32)18-5-2)30(33)35-24-19-15-14-16-20-24/h14-16,19-20,22H,4-13,17-18,21H2,1-3H3