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

Systemtic Name: (E)-3-(4-pentadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-pentadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-pentadecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-pentadecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-pentadecoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C33H50O2S MolecularWeight: 510.8139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C33H50O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-19-28-35-33(36-29-4-2)26-24-30(25-27-33)22-23-32(34)31-20-17-16-18-21-31/h16-18,20-27,30H,3-15,19,28-29H2,1-2H3/b23-22+