[5-acetyloxy-2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-4-oxidanylidene-chromen-7-yl] ethanoate

Systemtic Name: [5-acetyloxy-2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-4-oxidanylidene-chromen-7-yl] ethanoate Openeye Name: [5-acetoxy-2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-4-oxo-chromen-7-yl] acetate CAS Name: acetic acid [5-acetyloxy-2-(4-fluorophenyl)-3-[(hexadecylthio)methyl]-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [5-acetyloxy-2-(4-fluorophenyl)-3-(hexadecylsulfanylmethyl)-4-oxochromen-7-yl] acetate Traditional Name: acetic acid [5-acetoxy-3-[(cetylthio)methyl]-2-(4-fluorophenyl)-4-keto-chromen-7-yl] ester Formula: C36H47FO6S MolecularWeight: 626.818183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H47FO6S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-44-25-31-35(40)34-32(42-27(3)39)23-30(41-26(2)38)24-33(34)43-36(31)28-18-20-29(37)21-19-28/h18-21,23-24H,4-17,22,25H2,1-3H3