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

Systemtic Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-yl-cyclohexyl]-3-methyl-hex-2-enyl]-3H-2-benzofuran-1-one Openeye Name: 6-[(E)-1-[5-(hydroxymethyl)-2-isopropyl-3-methoxy-cyclohexyl]-3-methyl-hex-2-enyl]-3H-isobenzofuran-1-one CAS Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methylhex-2-enyl]-3H-isobenzofuran-1-one IUPAC Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methylhex-2-enyl]-3H-2-benzofuran-1-one Traditional Name: 6-[(E)-1-(2-isopropyl-3-methoxy-5-methylol-cyclohexyl)-3-methyl-hex-2-enyl]phthalide Formula: C26H38O4 MolecularWeight: 414.57752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H38O4/c1-6-7-17(4)10-21(19-8-9-20-15-30-26(28)22(20)13-19)23-11-18(14-27)12-24(29-5)25(23)16(2)3/h8-10,13,16,18,21,23-25,27H,6-7,11-12,14-15H2,1-5H3/b17-10+