[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-[4-(3-oxidanylpropoxy)phenyl]benzoate

Systemtic Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-[4-(3-oxidanylpropoxy)phenyl]benzoate Openeye Name: [4-[(1S)-1-methylheptoxy]carbonylphenyl] 4-[4-(3-hydroxypropoxy)phenyl]benzoate CAS Name: 4-[4-(3-hydroxypropoxy)phenyl]benzoic acid [4-[[(2S)-octan-2-yl]oxy-oxomethyl]phenyl] ester IUPAC Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-[4-(3-hydroxypropoxy)phenyl]benzoate Traditional Name: 4-[4-(3-hydroxypropoxy)phenyl]benzoic acid [4-[(1S)-1-methylheptoxy]carbonylphenyl] ester Formula: C31H36O6 MolecularWeight: 504.61394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCO

Isomeric SMILES

CCCCCC[C@H](C)OC(=O)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)OCCCO

InChI

InChI=1S/C31H36O6/c1-3-4-5-6-8-23(2)36-30(33)27-15-19-29(20-16-27)37-31(34)26-11-9-24(10-12-26)25-13-17-28(18-14-25)35-22-7-21-32/h9-20,23,32H,3-8,21-22H2,1-2H3/t23-/m0/s1