3-[3-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]propane-1-sulfonic acid

Systemtic Name: 3-[3-[(E)-3-(6-methyl-2-oxidanyl-4-oxidanylidene-1H-pyridin-3-yl)-3-oxidanylidene-prop-1-enyl]phenoxy]propane-1-sulfonic acid Openeye Name: 3-[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)-3-oxo-prop-1-enyl]phenoxy]propane-1-sulfonic acid CAS Name: 3-[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]-1-propanesulfonic acid IUPAC Name: 3-[3-[(E)-3-(2-hydroxy-6-methyl-4-oxo-1H-pyridin-3-yl)-3-oxoprop-1-enyl]phenoxy]propane-1-sulfonic acid Traditional Name: 3-[3-[(E)-3-(2-hydroxy-4-keto-6-methyl-1H-pyridin-3-yl)-3-keto-prop-1-enyl]phenoxy]propane-1-sulfonic acid Formula: C18H19NO7S MolecularWeight: 393.41096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1)O)C(=O)C=CC2=CC(=CC=C2)OCCCS(=O)(=O)O

Isomeric SMILES

CC1=CC(=O)C(=C(N1)O)C(=O)/C=C/C2=CC(=CC=C2)OCCCS(=O)(=O)O

InChI

InChI=1S/C18H19NO7S/c1-12-10-16(21)17(18(22)19-12)15(20)7-6-13-4-2-5-14(11-13)26-8-3-9-27(23,24)25/h2,4-7,10-11H,3,8-9H2,1H3,(H2,19,21,22)(H,23,24,25)/b7-6+