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

Systemtic Name: (E)-3-(4-butyl-4-pentadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-butyl-4-pentadecylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-butyl-4-(pentadecylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-butyl-4-pentadecylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-butyl-4-(pentadecylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C34H52OS MolecularWeight: 508.84108

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H52OS/c1-3-5-7-8-9-10-11-12-13-14-15-16-20-30-36-34(27-6-4-2)28-25-31(26-29-34)23-24-33(35)32-21-18-17-19-22-32/h17-19,21-26,28-29,31H,3-16,20,27,30H2,1-2H3/b24-23+