2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-5,7-bis(oxidanyl)chromen-4-one

Systemtic Name: 2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-5,7-bis(oxidanyl)chromen-4-one Openeye Name: 2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-5,7-dihydroxy-chromen-4-one CAS Name: 2-(4-fluorophenyl)-3-[(hexadecylthio)methyl]-5,7-dihydroxy-1-benzopyran-4-one IUPAC Name: 2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-5,7-dihydroxychromen-4-one Traditional Name: 3-[(cetylthio)methyl]-2-(4-fluorophenyl)-5,7-dihydroxy-chromone Formula: C32H43FO4S MolecularWeight: 542.744823

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C32H43FO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-38-23-27-31(36)30-28(35)21-26(34)22-29(30)37-32(27)24-16-18-25(33)19-17-24/h16-19,21-22,34-35H,2-15,20,23H2,1H3