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

Systemtic Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4-di(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4-di(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[4-(propylthio)-3,4-di(tridecoxy)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-[4-propylsulfanyl-3,4-di(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[4-(propylthio)-3,4-di(tridecoxy)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C44H72O3S MolecularWeight: 681.10568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C44H72O3S/c1-4-7-9-11-13-15-17-19-21-23-28-36-46-43-39-40(32-33-42(45)41-30-26-25-27-31-41)34-35-44(43,48-38-6-3)47-37-29-24-22-20-18-16-14-12-10-8-5-2/h25-27,30-35,39-40H,4-24,28-29,36-38H2,1-3H3/b33-32+