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

Systemtic Name: phenyl 3-butanoyloxy-2-chloranyl-4-decoxy-5-methyl-benzoate Openeye Name: phenyl 3-butanoyloxy-2-chloro-4-decoxy-5-methyl-benzoate CAS Name: 2-chloro-4-decoxy-5-methyl-3-(1-oxobutoxy)benzoic acid phenyl ester IUPAC Name: phenyl 3-butanoyloxy-2-chloro-4-decoxy-5-methylbenzoate Traditional Name: 3-butyryloxy-2-chloro-4-decoxy-5-methyl-benzoic acid phenyl ester Formula: C28H37ClO5 MolecularWeight: 489.04338

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C(=C1OC(=O)CCC)Cl)C(=O)OC2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C(=C1OC(=O)CCC)Cl)C(=O)OC2=CC=CC=C2)C

InChI

InChI=1S/C28H37ClO5/c1-4-6-7-8-9-10-11-15-19-32-26-21(3)20-23(25(29)27(26)34-24(30)16-5-2)28(31)33-22-17-13-12-14-18-22/h12-14,17-18,20H,4-11,15-16,19H2,1-3H3