(E)-3-[4-decylsulfanyl-2,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-decylsulfanyl-2,4-bis(oxidanyl)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-decylsulfanyl-2,4-dihydroxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(decylthio)-2,4-dihydroxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-decylsulfanyl-2,4-dihydroxycyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(decylthio)-2,4-dihydroxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C25H34O3S MolecularWeight: 414.60066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC1(C=CC(C(=C1)O)C=CC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCSC1(C=CC(C(=C1)O)/C=C/C(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C25H34O3S/c1-2-3-4-5-6-7-8-12-19-29-25(28)18-17-22(24(27)20-25)15-16-23(26)21-13-10-9-11-14-21/h9-11,13-18,20,22,27-28H,2-8,12,19H2,1H3/b16-15+