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

Systemtic Name: (E)-3-(4-methylsulfanyl-4-octadecoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-methylsulfanyl-4-octadecoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(methylthio)-4-octadecoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-methylsulfanyl-4-octadecoxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(methylthio)-4-stearyloxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C34H52O2S MolecularWeight: 524.84048

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C34H52O2S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-30-36-34(37-2)28-26-31(27-29-34)24-25-33(35)32-22-19-18-20-23-32/h18-20,22-29,31H,3-17,21,30H2,1-2H3/b25-24+