3-azanyl-4-(2,3-disulfonaphthalen-1-yl)sulfonyl-benzoic acid

Systemtic Name: 3-azanyl-4-(2,3-disulfonaphthalen-1-yl)sulfonyl-benzoic acid Openeye Name: 3-amino-4-[(2,3-disulfo-1-naphthyl)sulfonyl]benzoic acid CAS Name: 3-amino-4-[(2,3-disulfo-1-naphthalenyl)sulfonyl]benzoic acid IUPAC Name: 3-amino-4-(2,3-disulfonaphthalen-1-yl)sulfonylbenzoic acid Traditional Name: 3-amino-4-[(2,3-disulfo-1-naphthyl)sulfonyl]benzoic acid Formula: C17H13NO10S3 MolecularWeight: 487.48082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)C3=C(C=C(C=C3)C(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C(=C2S(=O)(=O)C3=C(C=C(C=C3)C(=O)O)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C17H13NO10S3/c18-12-7-10(17(19)20)5-6-13(12)29(21,22)15-11-4-2-1-3-9(11)8-14(30(23,24)25)16(15)31(26,27)28/h1-8H,18H2,(H,19,20)(H,23,24,25)(H,26,27,28)