(4-butanoyloxy-2-chloranyl-3-methyl-phenyl) 4-decoxybenzoate

Systemtic Name: (4-butanoyloxy-2-chloranyl-3-methyl-phenyl) 4-decoxybenzoate Openeye Name: (4-butanoyloxy-2-chloro-3-methyl-phenyl) 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [2-chloro-3-methyl-4-(1-oxobutoxy)phenyl] ester IUPAC Name: (4-butanoyloxy-2-chloro-3-methylphenyl) 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid (4-butyryloxy-2-chloro-3-methyl-phenyl) ester Formula: C28H37ClO5 MolecularWeight: 489.04338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H37ClO5/c1-4-6-7-8-9-10-11-12-20-32-23-16-14-22(15-17-23)28(31)34-25-19-18-24(21(3)27(25)29)33-26(30)13-5-2/h14-19H,4-13,20H2,1-3H3