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

Systemtic Name: 6-[[3-azanyl-5-[(5,7-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-[[3-amino-5-[(5,7-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid CAS Name: 6-[[[3-amino-5-[[(5,7-disulfo-2-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-[[3-amino-5-[(5,7-disulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid Traditional Name: 6-[[3-amino-5-[(5,7-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,3-disulfonic acid Formula: C28H21N3O14S4 MolecularWeight: 751.73804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)C3=CC(=CC(=C3)N)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)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/C28H21N3O14S4/c29-18-6-16(27(32)30-19-1-3-23-14(8-19)10-21(46(34,35)36)12-25(23)48(40,41)42)5-17(7-18)28(33)31-20-2-4-24-15(9-20)11-22(47(37,38)39)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)