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

Systemtic Name: phenyl 2-butanoyloxy-4-dodecoxy-3-methyl-benzoate Openeye Name: phenyl 2-butanoyloxy-4-dodecoxy-3-methyl-benzoate CAS Name: 4-dodecoxy-3-methyl-2-(1-oxobutoxy)benzoic acid phenyl ester IUPAC Name: phenyl 2-butanoyloxy-4-dodecoxy-3-methylbenzoate Traditional Name: 2-butyryloxy-4-lauryloxy-3-methyl-benzoic acid phenyl ester Formula: C30H42O5 MolecularWeight: 482.65148

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O5/c1-4-6-7-8-9-10-11-12-13-17-23-33-27-22-21-26(29(24(27)3)35-28(31)18-5-2)30(32)34-25-19-15-14-16-20-25/h14-16,19-22H,4-13,17-18,23H2,1-3H3