aniline; 3-sulfobenzoic acid

Systemtic Name: aniline; 3-sulfobenzoic acid Openeye Name: aniline; 3-sulfobenzoic acid CAS Name: aniline; 3-sulfobenzoic acid IUPAC Name: aniline; 3-sulfobenzoic acid Traditional Name: phenylamine; 3-sulfobenzoic acid Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N.C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N.C1=CC(=CC(=C1)S(=O)(=O)O)C(=O)O

InChI

InChI=1S/C7H6O5S.C6H7N/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;7-6-4-2-1-3-5-6/h1-4H,(H,8,9)(H,10,11,12);1-5H,7H2