4-[[3-nitro-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[3-nitro-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]-5-oxidanyl-naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[3-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]-5-nitro-benzoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[[3-[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[3-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]-5-nitrobenzoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[3-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]-5-nitro-benzoyl]amino]naphthalene-2,7-disulfonic acid Formula: C28H19N3O18S4 MolecularWeight: 813.71976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C28H19N3O18S4/c32-23-10-19(52(44,45)46)6-12-4-17(50(38,39)40)8-21(25(12)23)29-27(34)14-1-15(3-16(2-14)31(36)37)28(35)30-22-9-18(51(41,42)43)5-13-7-20(53(47,48)49)11-24(33)26(13)22/h1-11,32-33H,(H,29,34)(H,30,35)(H,38,39,40)(H,41,42,43)(H,44,45,46)(H,47,48,49)