7-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-3-sulfinooxy-naphthalene-1,6-disulfonic acid

Systemtic Name: 7-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-3-sulfinooxy-naphthalene-1,6-disulfonic acid Openeye Name: 7-[2-acetamido-4-(methylamino)phenyl]azo-3-sulfinooxy-naphthalene-1,6-disulfonic acid CAS Name: 7-[2-acetamido-4-(methylamino)phenyl]azo-3-sulfinooxynaphthalene-1,6-disulfonic acid IUPAC Name: 7-[[2-acetamido-4-(methylamino)phenyl]diazenyl]-3-sulfinooxynaphthalene-1,6-disulfonic acid Traditional Name: 7-[2-acetamido-4-(methylamino)phenyl]azo-3-sulfinooxy-naphthalene-1,6-disulfonic acid Formula: C19H18N4O10S3 MolecularWeight: 558.56202

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=CC(=C1)NC)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)OS(=O)O)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C=CC(=C1)NC)N=NC2=C(C=C3C=C(C=C(C3=C2)S(=O)(=O)O)OS(=O)O)S(=O)(=O)O

InChI

InChI=1S/C19H18N4O10S3/c1-10(24)21-16-7-12(20-2)3-4-15(16)22-23-17-9-14-11(6-19(17)36(30,31)32)5-13(33-34(25)26)8-18(14)35(27,28)29/h3-9,20H,1-2H3,(H,21,24)(H,25,26)(H,27,28,29)(H,30,31,32)