(E)-3-[4-(2-methylpropylsulfanyl)-4-octoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-(2-methylpropylsulfanyl)-4-octoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-isobutylsulfanyl-4-octoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(2-methylpropylthio)-4-octoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(2-methylpropylsulfanyl)-4-octoxycyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(isobutylthio)-4-octoxy-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:

CCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCC(C)C

Isomeric SMILES

CCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCC(C)C

InChI

InChI=1S/C27H38O2S/c1-4-5-6-7-8-12-21-29-27(30-22-23(2)3)19-17-24(18-20-27)15-16-26(28)25-13-10-9-11-14-25/h9-11,13-20,23-24H,4-8,12,21-22H2,1-3H3/b16-15+