2-azanyl-5-(2-hydroxyethylsulfonyl)naphthalene-1,7-disulfonic acid

Systemtic Name: 2-azanyl-5-(2-hydroxyethylsulfonyl)naphthalene-1,7-disulfonic acid Openeye Name: 2-amino-5-(2-hydroxyethylsulfonyl)naphthalene-1,7-disulfonic acid CAS Name: 2-amino-5-(2-hydroxyethylsulfonyl)naphthalene-1,7-disulfonic acid IUPAC Name: 2-amino-5-(2-hydroxyethylsulfonyl)naphthalene-1,7-disulfonic acid Traditional Name: 2-amino-5-(2-hydroxyethylsulfonyl)naphthalene-1,7-disulfonic acid Formula: C12H13NO9S3 MolecularWeight: 411.42792

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)CCO)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C2=CC(=CC(=C21)S(=O)(=O)CCO)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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