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

Systemtic Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-yl-cyclohexyl]-3-methyl-oct-2-enyl]-3H-2-benzofuran-1-one Openeye Name: 6-[(E)-1-[5-(hydroxymethyl)-2-isopropyl-3-methoxy-cyclohexyl]-3-methyl-oct-2-enyl]-3H-isobenzofuran-1-one CAS Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methyloct-2-enyl]-3H-isobenzofuran-1-one IUPAC Name: 6-[(E)-1-[5-(hydroxymethyl)-3-methoxy-2-propan-2-ylcyclohexyl]-3-methyloct-2-enyl]-3H-2-benzofuran-1-one Traditional Name: 6-[(E)-1-(2-isopropyl-3-methoxy-5-methylol-cyclohexyl)-3-methyl-oct-2-enyl]phthalide Formula: C28H42O4 MolecularWeight: 442.63068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42O4/c1-6-7-8-9-19(4)12-23(21-10-11-22-17-32-28(30)24(22)15-21)25-13-20(16-29)14-26(31-5)27(25)18(2)3/h10-12,15,18,20,23,25-27,29H,6-9,13-14,16-17H2,1-5H3/b19-12+