(E)-3-(3-heptadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one

Systemtic Name: (E)-3-(3-heptadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one Openeye Name: (E)-3-(3-heptadecoxy-4-propylsulfanyl-phenyl)-1-phenyl-prop-2-en-1-one CAS Name: (E)-3-[3-heptadecoxy-4-(propylthio)phenyl]-1-phenyl-2-propen-1-one IUPAC Name: (E)-3-(3-heptadecoxy-4-propylsulfanylphenyl)-1-phenylprop-2-en-1-one Traditional Name: (E)-3-[3-heptadecoxy-4-(propylthio)phenyl]-1-phenyl-prop-2-en-1-one Formula: C35H52O2S MolecularWeight: 536.85118

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)C=CC(=O)C2=CC=CC=C2)SCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCCOC1=C(C=CC(=C1)/C=C/C(=O)C2=CC=CC=C2)SCCC

InChI

InChI=1S/C35H52O2S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-28-37-34-30-31(25-27-35(34)38-29-4-2)24-26-33(36)32-22-19-18-20-23-32/h18-20,22-27,30H,3-17,21,28-29H2,1-2H3/b26-24+