disodium 5-[[2-nitro-4-[3-nitro-4-[(4-phenylazanyl-3-sulfonato-phenyl)amino]phenyl]sulfonyl-phenyl]amino]-2-phenylazanyl-benzenesulfonate

Systemtic Name: disodium 5-[[2-nitro-4-[3-nitro-4-[(4-phenylazanyl-3-sulfonato-phenyl)amino]phenyl]sulfonyl-phenyl]amino]-2-phenylazanyl-benzenesulfonate Openeye Name: disodium 2-anilino-5-[4-[4-(4-anilino-3-sulfonato-anilino)-3-nitro-phenyl]sulfonyl-2-nitro-anilino]benzenesulfonate CAS Name: disodium 2-anilino-5-[4-[4-(4-anilino-3-sulfonatoanilino)-3-nitrophenyl]sulfonyl-2-nitroanilino]benzenesulfonate IUPAC Name: disodium 2-anilino-5-[4-[4-(4-anilino-3-sulfonatoanilino)-3-nitrophenyl]sulfonyl-2-nitroanilino]benzenesulfonate Traditional Name: disodium 2-anilino-5-[4-[4-(4-anilino-3-sulfonato-anilino)-3-nitro-phenyl]sulfonyl-2-nitro-anilino]besylate Formula: C36H26N6Na2O12S3 MolecularWeight: 876.79918

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)NC5=CC(=C(C=C5)NC6=CC=CC=C6)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)S(=O)(=O)C4=CC(=C(C=C4)NC5=CC(=C(C=C5)NC6=CC=CC=C6)S(=O)(=O)[O-])[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C36H28N6O12S3.2Na/c43-41(44)33-21-27(13-17-29(33)39-25-11-15-31(35(19-25)56(49,50)51)37-23-7-3-1-4-8-23)55(47,48)28-14-18-30(34(22-28)42(45)46)40-26-12-16-32(36(20-26)57(52,53)54)38-24-9-5-2-6-10-24;;/h1-22,37-40H,(H,49,50,51)(H,52,53,54);;/q;2*+1/p-2