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

Systemtic Name: (E)-3-(3,4-dihexadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3,4-dihexadecoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3,4-dihexadecoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3,4-dihexadecoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3,4-dicetyloxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]-1-phenyl-prop-2-en-1-one Formula: C50H84O3S MolecularWeight: 765.26516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCC)SCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(C=CC1(OCCCCCCCCCCCCCCCC)SCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C50H84O3S/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-34-42-52-49-45-46(38-39-48(51)47-36-32-31-33-37-47)40-41-50(49,54-44-6-3)53-43-35-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h31-33,36-41,45-46H,4-30,34-35,42-44H2,1-3H3/b39-38+