1-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-2-methyl-4-pentan-3-yl-phenoxy]-3,3-dimethyl-butan-2-one

Systemtic Name: 1-[3-[4-(3,3-dimethyl-2-oxidanyl-butoxy)-3-methyl-phenyl]-2-methyl-4-pentan-3-yl-phenoxy]-3,3-dimethyl-butan-2-one Openeye Name: 1-[4-(1-ethylpropyl)-3-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one CAS Name: 1-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]-2-methyl-4-pentan-3-ylphenoxy]-3,3-dimethyl-2-butanone IUPAC Name: 1-[3-[4-(2-hydroxy-3,3-dimethylbutoxy)-3-methylphenyl]-2-methyl-4-pentan-3-ylphenoxy]-3,3-dimethylbutan-2-one Traditional Name: 1-[4-(1-ethylpropyl)-3-[4-(2-hydroxy-3,3-dimethyl-butoxy)-3-methyl-phenyl]-2-methyl-phenoxy]-3,3-dimethyl-butan-2-one Formula: C31H46O4 MolecularWeight: 482.69454

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=C(C(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)C

Isomeric SMILES

CCC(CC)C1=C(C(=C(C=C1)OCC(=O)C(C)(C)C)C)C2=CC(=C(C=C2)OCC(C(C)(C)C)O)C

InChI

InChI=1S/C31H46O4/c1-11-22(12-2)24-14-16-26(35-19-28(33)31(8,9)10)21(4)29(24)23-13-15-25(20(3)17-23)34-18-27(32)30(5,6)7/h13-17,22,27,32H,11-12,18-19H2,1-10H3