2-methyl-4-[1-(3-methyl-4-oxidanyl-phenyl)cyclohexyl]phenol carbonate

Systemtic Name: 2-methyl-4-[1-(3-methyl-4-oxidanyl-phenyl)cyclohexyl]phenol carbonate Openeye Name: 4-[1-(4-hydroxy-3-methyl-phenyl)cyclohexyl]-2-methyl-phenol carbonate CAS Name: 4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol carbonate IUPAC Name: 4-[1-(4-hydroxy-3-methylphenyl)cyclohexyl]-2-methylphenol carbonate Traditional Name: 4-[1-(4-hydroxy-3-methyl-phenyl)cyclohexyl]-2-methyl-phenol carbonate Formula: C41H48O7-2 MolecularWeight: 652.81562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O.CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O.C(=O)([O-])[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O.CC1=C(C=CC(=C1)C2(CCCCC2)C3=CC(=C(C=C3)O)C)O.C(=O)([O-])[O-]

InChI

InChI=1S/2C20H24O2.CH2O3/c2*1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17;2-1(3)4/h2*6-9,12-13,21-22H,3-5,10-11H2,1-2H3;(H2,2,3,4)/p-2