1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid

Systemtic Name: 1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid Openeye Name: 1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid CAS Name: 1-ethyl-3-(1-pyrrolidinyl)-9H-xanthene-9-carboxylic acid; sulfuric acid IUPAC Name: 1-ethyl-3-pyrrolidin-1-yl-9H-xanthene-9-carboxylic acid; sulfuric acid Traditional Name: 1-ethyl-3-pyrrolidino-9H-xanthene-9-carboxylic acid; sulfuric acid Formula: C20H23NO7S MolecularWeight: 421.46412

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.OS(=O)(=O)O

Isomeric SMILES

CCC1=CC(=CC2=C1C(C3=CC=CC=C3O2)C(=O)O)N4CCCC4.OS(=O)(=O)O

InChI

InChI=1S/C20H21NO3.H2O4S/c1-2-13-11-14(21-9-5-6-10-21)12-17-18(13)19(20(22)23)15-7-3-4-8-16(15)24-17;1-5(2,3)4/h3-4,7-8,11-12,19H,2,5-6,9-10H2,1H3,(H,22,23);(H2,1,2,3,4)