[2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate

Systemtic Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxidanylidene-ethyl] 2,3,4-trimethoxybenzoate Openeye Name: [2-[4-[(1S)-1-methylpropyl]phenyl]-2-oxo-ethyl] 2,3,4-trimethoxybenzoate CAS Name: 2,3,4-trimethoxybenzoic acid [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2S)-butan-2-yl]phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate Traditional Name: 2,3,4-trimethoxybenzoic acid [2-keto-2-[4-[(1S)-1-methylpropyl]phenyl]ethyl] ester Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC

Isomeric SMILES

CC[C@H](C)C1=CC=C(C=C1)C(=O)COC(=O)C2=C(C(=C(C=C2)OC)OC)OC

InChI

InChI=1S/C22H26O6/c1-6-14(2)15-7-9-16(10-8-15)18(23)13-28-22(24)17-11-12-19(25-3)21(27-5)20(17)26-4/h7-12,14H,6,13H2,1-5H3/t14-/m0/s1