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

Systemtic Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-yl-cyclohexyl]-3-methyl-hept-2-enyl]-3H-2-benzofuran-1-one Openeye Name: 6-[(E)-1-[5-(hydroxymethyl)-2-isopropyl-3-methoxy-cyclohexyl]-3-methyl-hept-2-enyl]-3H-isobenzofuran-1-one CAS Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methylhept-2-enyl]-3H-isobenzofuran-1-one IUPAC Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methylhept-2-enyl]-3H-2-benzofuran-1-one Traditional Name: 6-[(E)-1-(2-isopropyl-3-methoxy-5-methylol-cyclohexyl)-3-methyl-hept-2-enyl]phthalide Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O4/c1-6-7-8-18(4)11-22(20-9-10-21-16-31-27(29)23(21)14-20)24-12-19(15-28)13-25(30-5)26(24)17(2)3/h9-11,14,17,19,22,24-26,28H,6-8,12-13,15-16H2,1-5H3/b18-11+