4-(butylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-(butylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-(butylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-(butylamino)-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-(butylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-(butylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C14H17NO7S2 MolecularWeight: 375.41728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

Isomeric SMILES

CCCCNC1=C2C(=CC(=C1)S(=O)(=O)O)C=C(C=C2O)S(=O)(=O)O

InChI

InChI=1S/C14H17NO7S2/c1-2-3-4-15-12-7-10(23(17,18)19)5-9-6-11(24(20,21)22)8-13(16)14(9)12/h5-8,15-16H,2-4H2,1H3,(H,17,18,19)(H,20,21,22)