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

Systemtic Name: 4-oxidanyl-5-[[4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2,7-disulfonic acid Openeye Name: 4-hydroxy-5-[[4-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-hydroxy-5-[[[4-[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-hydroxy-5-[[4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-hydroxy-5-[[4-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid Formula: C28H20N2O16S4 MolecularWeight: 768.7222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)NC4=C5C(=CC(=C4)S(=O)(=O)O)C=C(C=C5O)S(=O)(=O)O

InChI

InChI=1S/C28H20N2O16S4/c31-23-11-19(49(41,42)43)7-15-5-17(47(35,36)37)9-21(25(15)23)29-27(33)13-1-2-14(4-3-13)28(34)30-22-10-18(48(38,39)40)6-16-8-20(50(44,45)46)12-24(32)26(16)22/h1-12,31-32H,(H,29,33)(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46)