[2-[3,4-bis(oxidanyl)naphthalen-1-yl]-7-oxidanyl-3-sulfooxy-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate

Systemtic Name: [2-[3,4-bis(oxidanyl)naphthalen-1-yl]-7-oxidanyl-3-sulfooxy-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate Openeye Name: [2-(3,4-dihydroxy-1-naphthyl)-7-hydroxy-3-sulfooxy-chroman-5-yl] hydrogen sulfate CAS Name: sulfuric acid [2-(3,4-dihydroxy-1-naphthalenyl)-7-hydroxy-3-sulfooxy-3,4-dihydro-2H-1-benzopyran-5-yl] ester IUPAC Name: [2-(3,4-dihydroxynaphthalen-1-yl)-7-hydroxy-3-sulfooxy-3,4-dihydro-2H-chromen-5-yl] hydrogen sulfate Traditional Name: sulfuric acid [2-(3,4-dihydroxy-1-naphthyl)-7-hydroxy-3-sulfoxy-chroman-5-yl] ester Formula: C19H16O12S2 MolecularWeight: 500.45314

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C(OC2=CC(=CC(=C21)OS(=O)(=O)O)O)C3=CC(=C(C4=CC=CC=C43)O)O)OS(=O)(=O)O

Isomeric SMILES

C1C(C(OC2=CC(=CC(=C21)OS(=O)(=O)O)O)C3=CC(=C(C4=CC=CC=C43)O)O)OS(=O)(=O)O

InChI

InChI=1S/C19H16O12S2/c20-9-5-15-13(16(6-9)30-32(23,24)25)8-17(31-33(26,27)28)19(29-15)12-7-14(21)18(22)11-4-2-1-3-10(11)12/h1-7,17,19-22H,8H2,(H,23,24,25)(H,26,27,28)