6-azanyl-5-[4-[[[4-(2-azanyl-6-sulfo-naphthalen-1-yl)-2-nitro-phenyl]diazenyl]oxydiazenyl]-3-nitro-phenyl]naphthalene-2-sulfonic acid

Systemtic Name: 6-azanyl-5-[4-[[[4-(2-azanyl-6-sulfo-naphthalen-1-yl)-2-nitro-phenyl]diazenyl]oxydiazenyl]-3-nitro-phenyl]naphthalene-2-sulfonic acid Openeye Name: 6-amino-5-[4-[4-(2-amino-6-sulfo-1-naphthyl)-2-nitro-phenyl]azooxyazo-3-nitro-phenyl]naphthalene-2-sulfonic acid CAS Name: 6-amino-5-[4-[4-(2-amino-6-sulfo-1-naphthalenyl)-2-nitrophenyl]azooxyazo-3-nitrophenyl]-2-naphthalenesulfonic acid IUPAC Name: 6-amino-5-[4-[[[4-(2-amino-6-sulfonaphthalen-1-yl)-2-nitrophenyl]diazenyl]oxydiazenyl]-3-nitrophenyl]naphthalene-2-sulfonic acid Traditional Name: 6-amino-5-[4-[4-(2-amino-6-sulfo-1-naphthyl)-2-nitro-phenyl]azooxyazo-3-nitro-phenyl]naphthalene-2-sulfonic acid Formula: C32H22N8O11S2 MolecularWeight: 758.69408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N)[N+](=O)[O-])N=NON=NC4=C(C=C(C=C4)C5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=C(C=C1C2=C(C=CC3=C2C=CC(=C3)S(=O)(=O)O)N)[N+](=O)[O-])N=NON=NC4=C(C=C(C=C4)C5=C(C=CC6=C5C=CC(=C6)S(=O)(=O)O)N)[N+](=O)[O-]

InChI

InChI=1S/C32H22N8O11S2/c33-25-9-1-17-13-21(52(45,46)47)5-7-23(17)31(25)19-3-11-27(29(15-19)39(41)42)35-37-51-38-36-28-12-4-20(16-30(28)40(43)44)32-24-8-6-22(53(48,49)50)14-18(24)2-10-26(32)34/h1-16H,33-34H2,(H,45,46,47)(H,48,49,50)