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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-trihexoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-trihexoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-trihexoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-trihexoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-trihexoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C36H56O4S MolecularWeight: 584.89244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC(C=C(C1(OCCCCCC)SCCC)OCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=CC(C=C(C1(OCCCCCC)SCCC)OCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C36H56O4S/c1-5-9-12-18-25-38-34-29-31(23-24-33(37)32-21-16-15-17-22-32)30-35(39-26-19-13-10-6-2)36(34,41-28-8-4)40-27-20-14-11-7-3/h15-17,21-24,29-31H,5-14,18-20,25-28H2,1-4H3/b24-23+