[4-(4-octoxycarbonyloxyphenyl)phenyl] (2R,3S)-2-chloranyl-3-methyl-pentanoate

Systemtic Name: [4-(4-octoxycarbonyloxyphenyl)phenyl] (2R,3S)-2-chloranyl-3-methyl-pentanoate Openeye Name: [4-(4-octoxycarbonyloxyphenyl)phenyl] (2R,3S)-2-chloro-3-methyl-pentanoate CAS Name: (2R,3S)-2-chloro-3-methylpentanoic acid [4-[4-[octoxy(oxo)methoxy]phenyl]phenyl] ester IUPAC Name: [4-(4-octoxycarbonyloxyphenyl)phenyl] (2R,3S)-2-chloro-3-methylpentanoate Traditional Name: (2R,3S)-2-chloro-3-methyl-valeric acid [4-(4-octoxycarbonyloxyphenyl)phenyl] ester Formula: C27H35ClO5 MolecularWeight: 475.0168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C(C(C)CC)Cl

Isomeric SMILES

CCCCCCCCOC(=O)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)[C@@H]([C@@H](C)CC)Cl

InChI

InChI=1S/C27H35ClO5/c1-4-6-7-8-9-10-19-31-27(30)33-24-17-13-22(14-18-24)21-11-15-23(16-12-21)32-26(29)25(28)20(3)5-2/h11-18,20,25H,4-10,19H2,1-3H3/t20-,25+/m0/s1