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

Systemtic Name: phenyl 2-butanoyloxy-4-decoxy-3-methyl-benzoate Openeye Name: phenyl 2-butanoyloxy-4-decoxy-3-methyl-benzoate CAS Name: 4-decoxy-3-methyl-2-(1-oxobutoxy)benzoic acid phenyl ester IUPAC Name: phenyl 2-butanoyloxy-4-decoxy-3-methylbenzoate Traditional Name: 2-butyryloxy-4-decoxy-3-methyl-benzoic acid phenyl ester Formula: C28H38O5 MolecularWeight: 454.59832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)OC(=O)CCC)C

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)OC2=CC=CC=C2)OC(=O)CCC)C

InChI

InChI=1S/C28H38O5/c1-4-6-7-8-9-10-11-15-21-31-25-20-19-24(27(22(25)3)33-26(29)16-5-2)28(30)32-23-17-13-12-14-18-23/h12-14,17-20H,4-11,15-16,21H2,1-3H3