sodium [3-[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indol-1-yl]carbonyloxy-2-oxidanyl-propyl] sulfate

Systemtic Name: sodium [3-[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxidanylidene-indol-1-yl]carbonyloxy-2-oxidanyl-propyl] sulfate Openeye Name: sodium [3-[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-oxo-indoline-1-carbonyl]oxy-2-hydroxy-propyl] sulfate CAS Name: sodium [3-[[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1-indolyl]-oxomethoxy]-2-hydroxypropyl] sulfate IUPAC Name: sodium [3-[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-2-oxoindole-1-carbonyl]oxy-2-hydroxypropyl] sulfate Traditional Name: sodium [3-[(3E)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylene]-2-keto-indoline-1-carbonyl]oxy-2-hydroxy-propyl] sulfate Formula: C19H19N2NaO8S MolecularWeight: 458.41753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N2O8S.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)10-29-30(25,26)27;/h3-8,13,20,22H,9-10H2,1-2H3,(H,25,26,27);/q;+1/p-1/b15-8+;