ethyl 2-[[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]methylsulfanyl]ethanoate

Systemtic Name: ethyl 2-[[3-(4-hydroxyphenyl)-5,7-bis(oxidanyl)-4-oxidanylidene-chromen-2-yl]methylsulfanyl]ethanoate Openeye Name: ethyl 2-[[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-chromen-2-yl]methylsulfanyl]acetate CAS Name: 2-[[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxo-1-benzopyran-2-yl]methylthio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-oxochromen-2-yl]methylsulfanyl]acetate Traditional Name: 2-[[5,7-dihydroxy-3-(4-hydroxyphenyl)-4-keto-chromen-2-yl]methylthio]acetic acid ethyl ester Formula: C20H18O7S MolecularWeight: 402.41772

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCOC(=O)CSCC1=C(C(=O)C2=C(C=C(C=C2O1)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H18O7S/c1-2-26-17(24)10-28-9-16-18(11-3-5-12(21)6-4-11)20(25)19-14(23)7-13(22)8-15(19)27-16/h3-8,21-23H,2,9-10H2,1H3