3-[[4-[(4,8-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name: 3-[[4-[(4,8-disulfonaphthalen-2-yl)carbamoyl]phenyl]carbonylamino]naphthalene-1,5-disulfonic acid Openeye Name: 3-[[4-[(4,8-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid CAS Name: 3-[[[4-[[(4,8-disulfo-2-naphthalenyl)amino]-oxomethyl]phenyl]-oxomethyl]amino]naphthalene-1,5-disulfonic acid IUPAC Name: 3-[[4-[(4,8-disulfonaphthalen-2-yl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid Traditional Name: 3-[[4-[(4,8-disulfo-2-naphthyl)carbamoyl]benzoyl]amino]naphthalene-1,5-disulfonic acid Formula: C28H20N2O14S4 MolecularWeight: 736.7234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C5C=CC=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC(=C5C=CC=C(C5=C4)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C28H20N2O14S4/c31-27(29-17-11-21-19(25(13-17)47(39,40)41)3-1-5-23(21)45(33,34)35)15-7-9-16(10-8-15)28(32)30-18-12-22-20(26(14-18)48(42,43)44)4-2-6-24(22)46(36,37)38/h1-14H,(H,29,31)(H,30,32)(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)