2-[3,4-bis(oxidanyl)phenyl]-3-methoxy-5,7-bis(oxidanyl)chromen-4-one trihydrate

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3-methoxy-5,7-bis(oxidanyl)chromen-4-one trihydrate Openeye Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromen-4-one trihydrate CAS Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-1-benzopyran-4-one trihydrate IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxychromen-4-one trihydrate Traditional Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-chromone trihydrate Formula: C16H18O10 MolecularWeight: 370.30812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O.O.O.O

Isomeric SMILES

COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O.O.O.O

InChI

InChI=1S/C16H12O7.3H2O/c1-22-16-14(21)13-11(20)5-8(17)6-12(13)23-15(16)7-2-3-9(18)10(19)4-7;;;/h2-6,17-20H,1H3;3*1H2