[2-methoxy-5-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)phenyl] hydrogen sulfate

Systemtic Name: [2-methoxy-5-(8-oxidanyl-1-oxidanylidene-3,4-dihydroisochromen-3-yl)phenyl] hydrogen sulfate Openeye Name: [5-(8-hydroxy-1-oxo-isochroman-3-yl)-2-methoxy-phenyl] hydrogen sulfate CAS Name: sulfuric acid [5-(8-hydroxy-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl)-2-methoxyphenyl] ester IUPAC Name: [5-(8-hydroxy-1-oxo-3,4-dihydroisochromen-3-yl)-2-methoxyphenyl] hydrogen sulfate Traditional Name: sulfuric acid [5-(8-hydroxy-1-keto-isochroman-3-yl)-2-methoxy-phenyl] ester Formula: C16H14O8S MolecularWeight: 366.34256

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CC3=C(C(=CC=C3)O)C(=O)O2)OS(=O)(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2CC3=C(C(=CC=C3)O)C(=O)O2)OS(=O)(=O)O

InChI

InChI=1S/C16H14O8S/c1-22-12-6-5-9(7-14(12)24-25(19,20)21)13-8-10-3-2-4-11(17)15(10)16(18)23-13/h2-7,13,17H,8H2,1H3,(H,19,20,21)