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

Systemtic Name: (E)-3-(4-decyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(4-decyl-4-methylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[4-decyl-4-(methylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(4-decyl-4-methylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[4-decyl-4-(methylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C26H36OS MolecularWeight: 396.62844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SC

Isomeric SMILES

CCCCCCCCCCC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SC

InChI

InChI=1S/C26H36OS/c1-3-4-5-6-7-8-9-13-20-26(28-2)21-18-23(19-22-26)16-17-25(27)24-14-11-10-12-15-24/h10-12,14-19,21-23H,3-9,13,20H2,1-2H3/b17-16+