3-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indol-1-yl]carbonyloxy-2-oxidanyl-propane-1-sulfonic acid; sodium

Systemtic Name: 3-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indol-1-yl]carbonyloxy-2-oxidanyl-propane-1-sulfonic acid; sodium Openeye Name: 3-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-oxo-indoline-1-carbonyl]oxy-2-hydroxy-propane-1-sulfonic acid; sodium CAS Name: 3-[[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1-indolyl]-oxomethoxy]-2-hydroxy-1-propanesulfonic acid; sodium IUPAC Name: 3-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxy-2-hydroxypropane-1-sulfonic acid; sodium Traditional Name: 3-[(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-keto-indoline-1-carbonyl]oxy-2-hydroxy-propane-1-sulfonic acid; sodium Formula: C19H20N2NaO7S MolecularWeight: 443.42607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1)C=C2C3=CC=CC=C3N(C2=O)C(=O)OCC(CS(=O)(=O)O)O)C.[Na]

Isomeric SMILES

CC1=CC(=C(N1)/C=C\2/C3=CC=CC=C3N(C2=O)C(=O)OCC(CS(=O)(=O)O)O)C.[Na]

InChI

InChI=1S/C19H20N2O7S.Na/c1-11-7-12(2)20-16(11)8-15-14-5-3-4-6-17(14)21(18(15)23)19(24)28-9-13(22)10-29(25,26)27;/h3-8,13,20,22H,9-10H2,1-2H3,(H,25,26,27);/b15-8-;