6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]-5-nitro-phenyl]carbonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]-5-nitro-phenyl]carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-[[3-[(5,7-disulfo-2-naphthyl)carbamoyl]-5-nitro-benzoyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 6-[[[3-[[(5,7-disulfo-2-naphthalenyl)amino]-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-[[3-[(5,7-disulfonaphthalen-2-yl)carbamoyl]-5-nitrobenzoyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 6-[[3-[(5,7-disulfo-2-naphthyl)carbamoyl]-5-nitro-benzoyl]amino]naphthalene-1,3-disulfonic acid Formula: C28H19N3O16S4 MolecularWeight: 781.72096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=CC5=CC(=CC(=C5C=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H19N3O16S4/c32-27(29-18-1-3-23-14(6-18)10-21(48(36,37)38)12-25(23)50(42,43)44)16-5-17(9-20(8-16)31(34)35)28(33)30-19-2-4-24-15(7-19)11-22(49(39,40)41)13-26(24)51(45,46)47/h1-13H,(H,29,32)(H,30,33)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)