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

Systemtic Name: (E)-3-(4-dodecylsulfanyl-3,4-dimethyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-dodecylsulfanyl-3,4-dimethyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(dodecylthio)-3,4-dimethyl-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-dodecylsulfanyl-3,4-dimethylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(laurylthio)-3,4-dimethyl-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C29H42OS MolecularWeight: 438.70818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSC1(C=CC(C=C1C)C=CC(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCSC1(C=CC(C=C1C)/C=C/C(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C29H42OS/c1-4-5-6-7-8-9-10-11-12-16-23-31-29(3)22-21-26(24-25(29)2)19-20-28(30)27-17-14-13-15-18-27/h13-15,17-22,24,26H,4-12,16,23H2,1-3H3/b20-19+