methyl 5-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]methyl]thiophene-2-carboxylate

Systemtic Name: methyl 5-[[4,6-bis(oxidanyl)-3,4-dihydro-2H-chromen-3-yl]methyl]thiophene-2-carboxylate Openeye Name: methyl 5-[(4,6-dihydroxychroman-3-yl)methyl]thiophene-2-carboxylate CAS Name: 5-[(4,6-dihydroxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-[(4,6-dihydroxy-3,4-dihydro-2H-chromen-3-yl)methyl]thiophene-2-carboxylate Traditional Name: 5-[(4,6-dihydroxychroman-3-yl)methyl]thiophene-2-carboxylic acid methyl ester Formula: C16H16O5S MolecularWeight: 320.36024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(S1)CC2COC3=C(C2O)C=C(C=C3)O

Isomeric SMILES

COC(=O)C1=CC=C(S1)CC2COC3=C(C2O)C=C(C=C3)O

InChI

InChI=1S/C16H16O5S/c1-20-16(19)14-5-3-11(22-14)6-9-8-21-13-4-2-10(17)7-12(13)15(9)18/h2-5,7,9,15,17-18H,6,8H2,1H3