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

Systemtic Name: (E)-1-phenyl-3-(3,4,5-tributoxy-4-henicosylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one Openeye Name: (E)-1-phenyl-3-(3,4,5-tributoxy-4-henicosylsulfanyl-cyclohexa-2,5-dien-1-yl)prop-2-en-1-one CAS Name: (E)-1-phenyl-3-[3,4,5-tributoxy-4-(heneicosylthio)-1-cyclohexa-2,5-dienyl]-2-propen-1-one IUPAC Name: (E)-1-phenyl-3-(3,4,5-tributoxy-4-henicosylsulfanylcyclohexa-2,5-dien-1-yl)prop-2-en-1-one Traditional Name: (E)-1-phenyl-3-[3,4,5-tributoxy-4-(heneicosylthio)cyclohexa-2,5-dien-1-yl]prop-2-en-1-one Formula: C48H80O4S MolecularWeight: 753.2114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCCC)C=CC(=O)C2=CC=CC=C2)OCCCC)OCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCSC1(C(=CC(C=C1OCCCC)/C=C/C(=O)C2=CC=CC=C2)OCCCC)OCCCC

InChI

InChI=1S/C48H80O4S/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-32-40-53-48(52-39-12-8-4)46(50-37-10-6-2)41-43(42-47(48)51-38-11-7-3)35-36-45(49)44-33-30-29-31-34-44/h29-31,33-36,41-43H,5-28,32,37-40H2,1-4H3/b36-35+