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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=C(C=C5C=C(C=CC5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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