(E)-3-(4-nonoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(4-nonoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-nonoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-nonoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-nonoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-nonoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C27H38O2S MolecularWeight: 426.65442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C27H38O2S/c1-3-5-6-7-8-9-13-22-29-27(30-23-4-2)20-18-24(19-21-27)16-17-26(28)25-14-11-10-12-15-25/h10-12,14-21,24H,3-9,13,22-23H2,1-2H3/b17-16+