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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-tributoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-tributoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tributoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-tributoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tributoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C30H44O4S MolecularWeight: 500.73296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(C=C(C1(OCCCC)SCCC)OCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCOC1=CC(C=C(C1(OCCCC)SCCC)OCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C30H44O4S/c1-5-9-19-32-28-23-25(17-18-27(31)26-15-13-12-14-16-26)24-29(33-20-10-6-2)30(28,35-22-8-4)34-21-11-7-3/h12-18,23-25H,5-11,19-22H2,1-4H3/b18-17+