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

Systemtic Name: (E)-3-[4-(2-methylpropylsulfanyl)-3,4-dioctoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-isobutylsulfanyl-3,4-dioctoxy-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-(2-methylpropylthio)-3,4-dioctoxy-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-[4-(2-methylpropylsulfanyl)-3,4-dioctoxycyclohexa-2,5-dien-1-yl]-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-(isobutylthio)-3,4-dioctoxy-cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C35H54O3S MolecularWeight: 554.86646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(C=CC1(OCCCCCCCC)SCC(C)C)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCOC1=CC(C=CC1(OCCCCCCCC)SCC(C)C)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C35H54O3S/c1-5-7-9-11-13-18-26-37-34-28-31(22-23-33(36)32-20-16-15-17-21-32)24-25-35(34,39-29-30(3)4)38-27-19-14-12-10-8-6-2/h15-17,20-25,28,30-31H,5-14,18-19,26-27,29H2,1-4H3/b23-22+