6-[(2-azanyl-3-oxidanyl-phenyl)amino]-6-oxidanylidene-hexane-3-sulfonic acid

Systemtic Name: 6-[(2-azanyl-3-oxidanyl-phenyl)amino]-6-oxidanylidene-hexane-3-sulfonic acid Openeye Name: 6-(2-amino-3-hydroxy-anilino)-6-oxo-hexane-3-sulfonic acid CAS Name: 6-(2-amino-3-hydroxyanilino)-6-oxo-3-hexanesulfonic acid IUPAC Name: 6-(2-amino-3-hydroxyanilino)-6-oxohexane-3-sulfonic acid Traditional Name: 6-(2-amino-3-hydroxy-anilino)-6-keto-hexane-3-sulfonic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)NC1=C(C(=CC=C1)O)N)S(=O)(=O)O

Isomeric SMILES

CCC(CCC(=O)NC1=C(C(=CC=C1)O)N)S(=O)(=O)O

InChI

InChI=1S/C12H18N2O5S/c1-2-8(20(17,18)19)6-7-11(16)14-9-4-3-5-10(15)12(9)13/h3-5,8,15H,2,6-7,13H2,1H3,(H,14,16)(H,17,18,19)