2-azanyl-6-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-6-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid Openeye Name: 2-amino-6-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid CAS Name: 2-amino-6-(2-sulfooxyethylsulfonyl)-1-naphthalenesulfonic acid IUPAC Name: 2-amino-6-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid Traditional Name: 2-amino-6-(2-sulfoxyethylsulfonyl)naphthalene-1-sulfonic acid Formula: C12H13NO9S3 MolecularWeight: 411.42792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C=C1S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C=C1S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C12H13NO9S3/c13-11-4-1-8-7-9(2-3-10(8)12(11)24(16,17)18)23(14,15)6-5-22-25(19,20)21/h1-4,7H,5-6,13H2,(H,16,17,18)(H,19,20,21)