2-oxidanyl-5-sulfo-benzoic acid; 1,2,3,4-tetrahydroacridin-9-amine

Systemtic Name: 2-oxidanyl-5-sulfo-benzoic acid; 1,2,3,4-tetrahydroacridin-9-amine Openeye Name: 2-hydroxy-5-sulfo-benzoic acid; 1,2,3,4-tetrahydroacridin-9-amine CAS Name: 2-hydroxy-5-sulfobenzoic acid; 1,2,3,4-tetrahydroacridin-9-amine IUPAC Name: 2-hydroxy-5-sulfobenzoic acid; 1,2,3,4-tetrahydroacridin-9-amine Traditional Name: 2-hydroxy-5-sulfo-benzoic acid; 1,2,3,4-tetrahydroacridin-9-ylamine Formula: C20H20N2O6S MolecularWeight: 416.4476

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=C2C1)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)N.C1=CC(=C(C=C1S(=O)(=O)O)C(=O)O)O

InChI

InChI=1S/C13H14N2.C7H6O6S/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13;8-6-2-1-4(14(11,12)13)3-5(6)7(9)10/h1,3,5,7H,2,4,6,8H2,(H2,14,15);1-3,8H,(H,9,10)(H,11,12,13)