[4-[bis(oxidanyl)methyl]-6-methyl-5-oxidanyl-pyridin-3-yl] 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonate

Systemtic Name: [4-[bis(oxidanyl)methyl]-6-methyl-5-oxidanyl-pyridin-3-yl] 2-methyl-1,4-bis(oxidanylidene)-3H-naphthalene-2-sulfonate Openeye Name: [4-(dihydroxymethyl)-5-hydroxy-6-methyl-3-pyridyl] 2-methyl-1,4-dioxo-tetralin-2-sulfonate CAS Name: 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonic acid [4-(dihydroxymethyl)-5-hydroxy-6-methyl-3-pyridinyl] ester IUPAC Name: [4-(dihydroxymethyl)-5-hydroxy-6-methylpyridin-3-yl] 2-methyl-1,4-dioxo-3H-naphthalene-2-sulfonate Traditional Name: 1,4-diketo-2-methyl-tetralin-2-sulfonic acid [4-(dihydroxymethyl)-5-hydroxy-6-methyl-3-pyridyl] ester Formula: C18H17NO8S MolecularWeight: 407.39448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C(O)O)OS(=O)(=O)C2(CC(=O)C3=CC=CC=C3C2=O)C

Isomeric SMILES

CC1=NC=C(C(=C1O)C(O)O)OS(=O)(=O)C2(CC(=O)C3=CC=CC=C3C2=O)C

InChI

InChI=1S/C18H17NO8S/c1-9-15(21)14(17(23)24)13(8-19-9)27-28(25,26)18(2)7-12(20)10-5-3-4-6-11(10)16(18)22/h3-6,8,17,21,23-24H,7H2,1-2H3