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

Systemtic Name: (E)-1-phenyl-3-(4-propylsulfanyl-4-tridecoxy-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(4-propylsulfanyl-4-tridecoxy-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-(propylthio)-4-tridecoxy-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(4-propylsulfanyl-4-tridecoxycyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-4-tridecoxy-cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C31H46O2S MolecularWeight: 482.76074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1(C=CC(C=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCOC1(C=CC(C=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C31H46O2S/c1-3-5-6-7-8-9-10-11-12-13-17-26-33-31(34-27-4-2)24-22-28(23-25-31)20-21-30(32)29-18-15-14-16-19-29/h14-16,18-25,28H,3-13,17,26-27H2,1-2H3/b21-20+