[4-[(3S,4R)-4-(4-butanoyloxyphenyl)hexan-3-yl]phenyl] butanoate

Systemtic Name: [4-[(3S,4R)-4-(4-butanoyloxyphenyl)hexan-3-yl]phenyl] butanoate Openeye Name: [4-[(1S,2R)-2-(4-butanoyloxyphenyl)-1-ethyl-butyl]phenyl] butanoate CAS Name: butanoic acid [4-[(3S,4R)-4-[4-(1-oxobutoxy)phenyl]hexan-3-yl]phenyl] ester IUPAC Name: [4-[(3S,4R)-4-(4-butanoyloxyphenyl)hexan-3-yl]phenyl] butanoate Traditional Name: butyric acid [4-[(1S,2R)-2-(4-butyryloxyphenyl)-1-ethyl-butyl]phenyl] ester Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)OC1=CC=C(C=C1)C(CC)C(CC)C2=CC=C(C=C2)OC(=O)CCC

Isomeric SMILES

CCCC(=O)OC1=CC=C(C=C1)[C@@H](CC)[C@@H](CC)C2=CC=C(C=C2)OC(=O)CCC

InChI

InChI=1S/C26H34O4/c1-5-9-25(27)29-21-15-11-19(12-16-21)23(7-3)24(8-4)20-13-17-22(18-14-20)30-26(28)10-6-2/h11-18,23-24H,5-10H2,1-4H3/t23-,24+