[2-methoxy-4-[(E)-4-(3-nonylphenyl)-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]but-3-en-2-yl]sulfanyl-quinolin-3-yl] methyl carbonate

Systemtic Name: [2-methoxy-4-[(E)-4-(3-nonylphenyl)-1-oxidanyl-1-[3-(trifluoromethyl)phenyl]but-3-en-2-yl]sulfanyl-quinolin-3-yl] methyl carbonate Openeye Name: [4-[(E)-1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-(3-nonylphenyl)allyl]sulfanyl-2-methoxy-3-quinolyl] methyl carbonate CAS Name: carbonic acid [4-[[(E)-1-hydroxy-4-(3-nonylphenyl)-1-[3-(trifluoromethyl)phenyl]but-3-en-2-yl]thio]-2-methoxy-3-quinolinyl] methyl ester IUPAC Name: [4-[(E)-1-hydroxy-4-(3-nonylphenyl)-1-[3-(trifluoromethyl)phenyl]but-3-en-2-yl]sulfanyl-2-methoxyquinolin-3-yl] methyl carbonate Traditional Name: carbonic acid [4-[[(E)-1-[hydroxy-[3-(trifluoromethyl)phenyl]methyl]-3-(3-nonylphenyl)allyl]thio]-2-methoxy-3-quinolyl] methyl ester Formula: C38H42F3NO5S MolecularWeight: 681.80399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC(=C1)C=CC(C(C2=CC(=CC=C2)C(F)(F)F)O)SC3=C(C(=NC4=CC=CC=C43)OC)OC(=O)OC

Isomeric SMILES

CCCCCCCCCC1=CC=CC(=C1)/C=C/C(C(C2=CC(=CC=C2)C(F)(F)F)O)SC3=C(C(=NC4=CC=CC=C43)OC)OC(=O)OC

InChI

InChI=1S/C38H42F3NO5S/c1-4-5-6-7-8-9-10-15-26-16-13-17-27(24-26)22-23-32(33(43)28-18-14-19-29(25-28)38(39,40)41)48-35-30-20-11-12-21-31(30)42-36(45-2)34(35)47-37(44)46-3/h11-14,16-25,32-33,43H,4-10,15H2,1-3H3/b23-22+