[4-[(2S)-2-methylbutyl]phenyl] 4-decoxybenzoate

Systemtic Name: [4-[(2S)-2-methylbutyl]phenyl] 4-decoxybenzoate Openeye Name: [4-[(2S)-2-methylbutyl]phenyl] 4-decoxybenzoate CAS Name: 4-decoxybenzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester IUPAC Name: [4-[(2S)-2-methylbutyl]phenyl] 4-decoxybenzoate Traditional Name: 4-decoxybenzoic acid [4-[(2S)-2-methylbutyl]phenyl] ester Formula: C28H40O3 MolecularWeight: 424.6154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H40O3/c1-4-6-7-8-9-10-11-12-21-30-26-19-15-25(16-20-26)28(29)31-27-17-13-24(14-18-27)22-23(3)5-2/h13-20,23H,4-12,21-22H2,1-3H3/t23-/m0/s1