carboxy 3-octan-2-yl-2-[(2S)-octan-2-yl]-4-(4-phenylphenyl)benzoate

Systemtic Name: carboxy 3-octan-2-yl-2-[(2S)-octan-2-yl]-4-(4-phenylphenyl)benzoate Openeye Name: carboxy 3-(1-methylheptyl)-2-[(1S)-1-methylheptyl]-4-(4-phenylphenyl)benzoate CAS Name: 3-octan-2-yl-2-[(2S)-octan-2-yl]-4-(4-phenylphenyl)benzoic acid carboxy ester IUPAC Name: carboxy 3-octan-2-yl-2-[(2S)-octan-2-yl]-4-(4-phenylphenyl)benzoate Traditional Name: 3-(1-methylheptyl)-2-[(1S)-1-methylheptyl]-4-(4-phenylphenyl)benzoic acid carboxy ester Formula: C36H46O4 MolecularWeight: 542.74804

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C=CC(=C1C(C)CCCCCC)C(=O)OC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCC[C@H](C)C1=C(C=CC(=C1C(C)CCCCCC)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OC(=O)O

InChI

InChI=1S/C36H46O4/c1-5-7-9-12-16-26(3)33-31(30-22-20-29(21-23-30)28-18-14-11-15-19-28)24-25-32(35(37)40-36(38)39)34(33)27(4)17-13-10-8-6-2/h11,14-15,18-27H,5-10,12-13,16-17H2,1-4H3,(H,38,39)/t26?,27-/m0/s1