2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol; prop-1-en-2-olate

Systemtic Name: 2-[3,4-bis(oxidanyl)phenyl]-3,4-dihydro-2H-chromene-3,5,7-triol; prop-1-en-2-olate Openeye Name: 2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol; prop-1-en-2-olate CAS Name: 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; 1-propen-2-olate IUPAC Name: 2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; prop-1-en-2-olate Traditional Name: 2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; prop-1-en-2-olate Formula: C18H19O7- MolecularWeight: 347.33926

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)[O-].C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

Isomeric SMILES

CC(=C)[O-].C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C=C3)O)O)O

InChI

InChI=1S/C15H14O6.C3H6O/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7;1-3(2)4/h1-5,13,15-20H,6H2;4H,1H2,2H3/p-1