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

Systemtic Name: (E)-3-(4-pentadecylsulfanyl-4-pentyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-pentadecylsulfanyl-4-pentyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(pentadecylthio)-4-pentyl-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-pentadecylsulfanyl-4-pentylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-amyl-4-(pentadecylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C35H54OS MolecularWeight: 522.86766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCSC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)CCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCSC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)CCCCC

InChI

InChI=1S/C35H54OS/c1-3-5-7-8-9-10-11-12-13-14-15-16-21-31-37-35(28-20-6-4-2)29-26-32(27-30-35)24-25-34(36)33-22-18-17-19-23-33/h17-19,22-27,29-30,32H,3-16,20-21,28,31H2,1-2H3/b25-24+