(E)-3-[4-(2-methylpropylsulfanyl)-4-nonoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-[4-(2-methylpropylsulfanyl)-4-nonoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-isobutylsulfanyl-4-nonoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(2-methylpropylthio)-4-nonoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(2-methylpropylsulfanyl)-4-nonoxycyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(isobutylthio)-4-nonoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C28H40O2S MolecularWeight: 440.681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCC(C)C

Isomeric SMILES

CCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCC(C)C

InChI

InChI=1S/C28H40O2S/c1-4-5-6-7-8-9-13-22-30-28(31-23-24(2)3)20-18-25(19-21-28)16-17-27(29)26-14-11-10-12-15-26/h10-12,14-21,24-25H,4-9,13,22-23H2,1-3H3/b17-16+