2,2-bis[2-oxidanyl-3-(3-phenylcyclohexyl)-5-(1-phenylethyl)phenyl]ethanoic acid

Systemtic Name: 2,2-bis[2-oxidanyl-3-(3-phenylcyclohexyl)-5-(1-phenylethyl)phenyl]ethanoic acid Openeye Name: 2,2-bis[2-hydroxy-3-(3-phenylcyclohexyl)-5-(1-phenylethyl)phenyl]acetic acid CAS Name: 2,2-bis[2-hydroxy-3-(3-phenylcyclohexyl)-5-(1-phenylethyl)phenyl]acetic acid IUPAC Name: 2,2-bis[2-hydroxy-3-(3-phenylcyclohexyl)-5-(1-phenylethyl)phenyl]acetic acid Traditional Name: 2,2-bis[2-hydroxy-3-(3-phenylcyclohexyl)-5-(1-phenylethyl)phenyl]acetic acid Formula: C54H56O4 MolecularWeight: 769.02004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C3CCCC(C3)C4=CC=CC=C4)O)C(C5=C(C(=CC(=C5)C(C)C6=CC=CC=C6)C7CCCC(C7)C8=CC=CC=C8)O)C(=O)O

Isomeric SMILES

CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C3CCCC(C3)C4=CC=CC=C4)O)C(C5=C(C(=CC(=C5)C(C)C6=CC=CC=C6)C7CCCC(C7)C8=CC=CC=C8)O)C(=O)O

InChI

InChI=1S/C54H56O4/c1-35(37-17-7-3-8-18-37)45-31-47(43-27-15-25-41(29-43)39-21-11-5-12-22-39)52(55)49(33-45)51(54(57)58)50-34-46(36(2)38-19-9-4-10-20-38)32-48(53(50)56)44-28-16-26-42(30-44)40-23-13-6-14-24-40/h3-14,17-24,31-36,41-44,51,55-56H,15-16,25-30H2,1-2H3,(H,57,58)