5-(aminomethyl)-2-[(8-azanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]naphthalene-1,7-disulfonic acid

Systemtic Name: 5-(aminomethyl)-2-[(8-azanyl-3,6-disulfo-naphthalen-1-yl)diazenyl]naphthalene-1,7-disulfonic acid Openeye Name: 2-[(8-amino-3,6-disulfo-1-naphthyl)azo]-5-(aminomethyl)naphthalene-1,7-disulfonic acid CAS Name: 2-[(8-amino-3,6-disulfo-1-naphthalenyl)azo]-5-(aminomethyl)naphthalene-1,7-disulfonic acid IUPAC Name: 2-[(8-amino-3,6-disulfonaphthalen-1-yl)diazenyl]-5-(aminomethyl)naphthalene-1,7-disulfonic acid Traditional Name: 2-[(8-amino-3,6-disulfo-1-naphthyl)azo]-5-(aminomethyl)naphthalene-1,7-disulfonic acid Formula: C21H18N4O12S4 MolecularWeight: 646.64722

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)CN)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)CN)S(=O)(=O)O)S(=O)(=O)O)N=NC3=C4C(=CC(=C3)S(=O)(=O)O)C=C(C=C4N)S(=O)(=O)O

InChI

InChI=1S/C21H18N4O12S4/c22-9-11-5-12(38(26,27)28)6-16-15(11)1-2-18(21(16)41(35,36)37)24-25-19-8-14(40(32,33)34)4-10-3-13(39(29,30)31)7-17(23)20(10)19/h1-8H,9,22-23H2,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)