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

Systemtic Name: 3-(butylamino)-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 3-(butylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 3-(butylamino)-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 3-(butylamino)-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 3-(butylamino)-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C14H17NO7S2 MolecularWeight: 375.41728

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCCCNC1=C(C=C2C=C(C=C(C2=C1)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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