6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-yl-cyclohexyl]-3-methyl-pent-2-enyl]-3H-2-benzofuran-1-one

Systemtic Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-yl-cyclohexyl]-3-methyl-pent-2-enyl]-3H-2-benzofuran-1-one Openeye Name: 6-[(E)-1-[5-(hydroxymethyl)-2-isopropyl-3-methoxy-cyclohexyl]-3-methyl-pent-2-enyl]-3H-isobenzofuran-1-one CAS Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methylpent-2-enyl]-3H-isobenzofuran-1-one IUPAC Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methylpent-2-enyl]-3H-2-benzofuran-1-one Traditional Name: 6-[(E)-1-(2-isopropyl-3-methoxy-5-methylol-cyclohexyl)-3-methyl-pent-2-enyl]phthalide Formula: C25H36O4 MolecularWeight: 400.55094

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC(C1CC(CC(C1C(C)C)OC)CO)C2=CC3=C(COC3=O)C=C2)C

Isomeric SMILES

CC/C(=C/C(C1CC(CC(C1C(C)C)OC)CO)C2=CC3=C(COC3=O)C=C2)/C

InChI

InChI=1S/C25H36O4/c1-6-16(4)9-20(18-7-8-19-14-29-25(27)21(19)12-18)22-10-17(13-26)11-23(28-5)24(22)15(2)3/h7-9,12,15,17,20,22-24,26H,6,10-11,13-14H2,1-5H3/b16-9+