[4-[(2S)-2-methylbutanoyl]oxyphenyl] 2-chloranyl-4-decoxy-benzoate

Systemtic Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 2-chloranyl-4-decoxy-benzoate Openeye Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 2-chloro-4-decoxy-benzoate CAS Name: 2-chloro-4-decoxybenzoic acid [4-[(2S)-2-methyl-1-oxobutoxy]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutanoyl]oxyphenyl] 2-chloro-4-decoxybenzoate Traditional Name: 2-chloro-4-decoxy-benzoic acid [4-[(2S)-2-methylbutanoyl]oxyphenyl] ester Formula: C28H37ClO5 MolecularWeight: 489.04338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CC=C(C=C2)OC(=O)[C@@H](C)CC)Cl

InChI

InChI=1S/C28H37ClO5/c1-4-6-7-8-9-10-11-12-19-32-24-17-18-25(26(29)20-24)28(31)34-23-15-13-22(14-16-23)33-27(30)21(3)5-2/h13-18,20-21H,4-12,19H2,1-3H3/t21-/m0/s1