2-(hydroxymethyl)-4-phenylmethoxy-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentan-1-one

Systemtic Name: 2-(hydroxymethyl)-4-phenylmethoxy-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentan-1-one Openeye Name: 4-benzyloxy-2-(hydroxymethyl)-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentanone CAS Name: 2-(hydroxymethyl)-4-phenylmethoxy-3-[(E)-1-(phenylthio)oct-2-enyl]-1-cyclopentanone IUPAC Name: 2-(hydroxymethyl)-4-phenylmethoxy-3-[(E)-1-phenylsulfanyloct-2-enyl]cyclopentan-1-one Traditional Name: 4-benzoxy-2-methylol-3-[(E)-1-(phenylthio)oct-2-enyl]cyclopentanone Formula: C27H34O3S MolecularWeight: 438.62206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CC(C1C(CC(=O)C1CO)OCC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CCCCC/C=C/C(C1C(CC(=O)C1CO)OCC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C27H34O3S/c1-2-3-4-5-12-17-26(31-22-15-10-7-11-16-22)27-23(19-28)24(29)18-25(27)30-20-21-13-8-6-9-14-21/h6-17,23,25-28H,2-5,18-20H2,1H3/b17-12+