[4-[(2S,4S)-4-chloranylpentan-2-yl]oxyphenyl] 4-(4-octoxyphenyl)benzoate

Systemtic Name: [4-[(2S,4S)-4-chloranylpentan-2-yl]oxyphenyl] 4-(4-octoxyphenyl)benzoate Openeye Name: [4-[(1S,3S)-3-chloro-1-methyl-butoxy]phenyl] 4-(4-octoxyphenyl)benzoate CAS Name: 4-(4-octoxyphenyl)benzoic acid [4-[(2S,4S)-4-chloropentan-2-yl]oxyphenyl] ester IUPAC Name: [4-[(2S,4S)-4-chloropentan-2-yl]oxyphenyl] 4-(4-octoxyphenyl)benzoate Traditional Name: 4-(4-octoxyphenyl)benzoic acid [4-[(1S,3S)-3-chloro-1-methyl-butoxy]phenyl] ester Formula: C32H39ClO4 MolecularWeight: 523.10266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)OC(C)CC(C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)O[C@@H](C)C[C@H](C)Cl

InChI

InChI=1S/C32H39ClO4/c1-4-5-6-7-8-9-22-35-29-16-14-27(15-17-29)26-10-12-28(13-11-26)32(34)37-31-20-18-30(19-21-31)36-25(3)23-24(2)33/h10-21,24-25H,4-9,22-23H2,1-3H3/t24-,25-/m0/s1