3-[2-[[(6,8-disulfonaphthalen-2-yl)amino]methyl]-3,4,5-tris(oxidanyl)phenyl]carbonyloxy-4,5-bis(oxidanyl)benzoic acid

Systemtic Name: 3-[2-[[(6,8-disulfonaphthalen-2-yl)amino]methyl]-3,4,5-tris(oxidanyl)phenyl]carbonyloxy-4,5-bis(oxidanyl)benzoic acid Openeye Name: 3-[2-[[(6,8-disulfo-2-naphthyl)amino]methyl]-3,4,5-trihydroxy-benzoyl]oxy-4,5-dihydroxy-benzoic acid CAS Name: 3-[[2-[[(6,8-disulfo-2-naphthalenyl)amino]methyl]-3,4,5-trihydroxyphenyl]-oxomethoxy]-4,5-dihydroxybenzoic acid IUPAC Name: 3-[2-[[(6,8-disulfonaphthalen-2-yl)amino]methyl]-3,4,5-trihydroxybenzoyl]oxy-4,5-dihydroxybenzoic acid Traditional Name: 3-[2-[[(6,8-disulfo-2-naphthyl)amino]methyl]-3,4,5-trihydroxy-benzoyl]oxy-4,5-dihydroxy-benzoic acid Formula: C25H19NO15S2 MolecularWeight: 637.54606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NCC3=C(C(=C(C=C3C(=O)OC4=CC(=CC(=C4O)O)C(=O)O)O)O)O

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)O)S(=O)(=O)O)NCC3=C(C(=C(C=C3C(=O)OC4=CC(=CC(=C4O)O)C(=O)O)O)O)O

InChI

InChI=1S/C25H19NO15S2/c27-17-4-11(24(32)33)5-19(22(17)30)41-25(34)15-8-18(28)23(31)21(29)16(15)9-26-12-2-1-10-3-13(42(35,36)37)7-20(14(10)6-12)43(38,39)40/h1-8,26-31H,9H2,(H,32,33)(H,35,36,37)(H,38,39,40)