3-[2-(hydroxymethyl)-6-oxidanyl-4-(5-phenylpentan-2-yloxy)phenyl]-4-propan-2-ylidene-cyclohex-2-en-1-one

Systemtic Name: 3-[2-(hydroxymethyl)-6-oxidanyl-4-(5-phenylpentan-2-yloxy)phenyl]-4-propan-2-ylidene-cyclohex-2-en-1-one Openeye Name: 3-[2-hydroxy-6-(hydroxymethyl)-4-(1-methyl-4-phenyl-butoxy)phenyl]-4-isopropylidene-cyclohex-2-en-1-one CAS Name: 3-[2-hydroxy-6-(hydroxymethyl)-4-(5-phenylpentan-2-yloxy)phenyl]-4-propan-2-ylidene-1-cyclohex-2-enone IUPAC Name: 3-[2-hydroxy-6-(hydroxymethyl)-4-(5-phenylpentan-2-yloxy)phenyl]-4-propan-2-ylidenecyclohex-2-en-1-one Traditional Name: 3-[2-hydroxy-6-methylol-4-(1-methyl-4-phenyl-butoxy)phenyl]-4-isopropylidene-cyclohex-2-en-1-one Formula: C27H32O4 MolecularWeight: 420.54058

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=CC=CC=C1)OC2=CC(=C(C(=C2)CO)C3=CC(=O)CCC3=C(C)C)O

Isomeric SMILES

CC(CCCC1=CC=CC=C1)OC2=CC(=C(C(=C2)CO)C3=CC(=O)CCC3=C(C)C)O

InChI

InChI=1S/C27H32O4/c1-18(2)24-13-12-22(29)15-25(24)27-21(17-28)14-23(16-26(27)30)31-19(3)8-7-11-20-9-5-4-6-10-20/h4-6,9-10,14-16,19,28,30H,7-8,11-13,17H2,1-3H3