4-[[3-azanyl-5-[(3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2,7-disulfonic acid

Systemtic Name: 4-[[3-azanyl-5-[(3,6-disulfonaphthalen-1-yl)carbamoyl]phenyl]carbonylamino]naphthalene-2,7-disulfonic acid Openeye Name: 4-[[3-amino-5-[(3,6-disulfo-1-naphthyl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid CAS Name: 4-[[[3-amino-5-[[(3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-2,7-disulfonic acid IUPAC Name: 4-[[3-amino-5-[(3,6-disulfonaphthalen-1-yl)carbamoyl]benzoyl]amino]naphthalene-2,7-disulfonic acid Traditional Name: 4-[[3-amino-5-[(3,6-disulfo-1-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=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=C5C=CC(=CC5=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)N)C(=O)NC4=C5C=CC(=CC5=CC(=C4)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H21N3O14S4/c29-18-6-16(27(32)30-25-12-21(48(40,41)42)10-14-8-19(46(34,35)36)1-3-23(14)25)5-17(7-18)28(33)31-26-13-22(49(43,44)45)11-15-9-20(47(37,38)39)2-4-24(15)26/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)