7-azanyl-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid

Systemtic Name: 7-azanyl-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid Openeye Name: 7-amino-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid CAS Name: 7-amino-3-(2-sulfooxyethylsulfonyl)-1-naphthalenesulfonic acid IUPAC Name: 7-amino-3-(2-sulfooxyethylsulfonyl)naphthalene-1-sulfonic acid Traditional Name: 7-amino-3-(2-sulfoxyethylsulfonyl)naphthalene-1-sulfonic acid Formula: C12H13NO9S3 MolecularWeight: 411.42792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)CCOS(=O)(=O)O)S(=O)(=O)O)N

InChI

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