5-[[3-nitro-4-[2-nitro-4-[(4-phenylazanyl-3-sulfo-phenyl)amino]phenyl]sulfonyl-phenyl]amino]-2-phenylazanyl-benzenesulfonic acid

Systemtic Name: 5-[[3-nitro-4-[2-nitro-4-[(4-phenylazanyl-3-sulfo-phenyl)amino]phenyl]sulfonyl-phenyl]amino]-2-phenylazanyl-benzenesulfonic acid Openeye Name: 2-anilino-5-[4-[4-(4-anilino-3-sulfo-anilino)-2-nitro-phenyl]sulfonyl-3-nitro-anilino]benzenesulfonic acid CAS Name: 2-anilino-5-[4-[4-(4-anilino-3-sulfoanilino)-2-nitrophenyl]sulfonyl-3-nitroanilino]benzenesulfonic acid IUPAC Name: 2-anilino-5-[4-[4-(4-anilino-3-sulfoanilino)-2-nitrophenyl]sulfonyl-3-nitroanilino]benzenesulfonic acid Traditional Name: 2-anilino-5-[4-[4-(4-anilino-3-sulfo-anilino)-2-nitro-phenyl]sulfonyl-3-nitro-anilino]besylic acid Formula: C36H28N6O12S3 MolecularWeight: 832.83552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=CC(=C(C=C3)S(=O)(=O)C4=C(C=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

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=CC(=C(C=C3)S(=O)(=O)C4=C(C=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

InChI

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