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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-triheptoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-triheptoxy-4-propylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-triheptoxy-4-(propylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-triheptoxy-4-propylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-triheptoxy-4-(propylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C39H62O4S MolecularWeight: 626.97218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC(C=C(C1(OCCCCCCC)SCCC)OCCCCCCC)C=CC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCOC1=CC(C=C(C1(OCCCCCCC)SCCC)OCCCCCCC)/C=C/C(=O)C2=CC=CC=C2

InChI

InChI=1S/C39H62O4S/c1-5-9-12-15-21-28-41-37-32-34(26-27-36(40)35-24-19-18-20-25-35)33-38(42-29-22-16-13-10-6-2)39(37,44-31-8-4)43-30-23-17-14-11-7-3/h18-20,24-27,32-34H,5-17,21-23,28-31H2,1-4H3/b27-26+