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

Systemtic Name: 3-[[3-azanyl-5-[(3,6-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2,7-disulfonic acid Openeye Name: 3-[[3-amino-5-[(3,6-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 3-[[[3-amino-5-[[(3,6-disulfo-2-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 3-[[3-amino-5-[(3,6-disulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 3-[[3-amino-5-[(3,6-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid Formula: C28H21N3O14S4 MolecularWeight: 751.73804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=CC(=C(C=C21)NC(=O)C3=CC(=CC(=C3)N)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)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/C28H21N3O14S4/c29-20-6-18(27(32)30-23-10-14-1-3-21(46(34,35)36)8-16(14)12-25(23)48(40,41)42)5-19(7-20)28(33)31-24-11-15-2-4-22(47(37,38)39)9-17(15)13-26(24)49(43,44)45/h1-13H,29H2,(H,30,32)(H,31,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)