4-[[4-(ethylamino)naphthalen-1-yl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[4-(ethylamino)naphthalen-1-yl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-[[4-(ethylamino)-1-naphthyl]azo]-5-hydroxy-naphthalene-2,7-disulfonic acid CAS Name: 4-[[4-(ethylamino)-1-naphthalenyl]azo]-5-hydroxynaphthalene-2,7-disulfonic acid IUPAC Name: 4-[[4-(ethylamino)naphthalen-1-yl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid Traditional Name: 4-[[4-(ethylamino)-1-naphthyl]azo]-5-hydroxy-naphthalene-2,7-disulfonic acid Formula: C22H19N3O7S2 MolecularWeight: 501.53216

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=CC=C(C2=CC=CC=C21)N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

Isomeric SMILES

CCNC1=CC=C(C2=CC=CC=C21)N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4O)S(=O)(=O)O

InChI

InChI=1S/C22H19N3O7S2/c1-2-23-18-7-8-19(17-6-4-3-5-16(17)18)24-25-20-11-14(33(27,28)29)9-13-10-15(34(30,31)32)12-21(26)22(13)20/h3-12,23,26H,2H2,1H3,(H,27,28,29)(H,30,31,32)