2-azanyl-6-[2-sulfooxy-1-(2-sulfooxyethylsulfonyl)ethyl]naphthalene-1-sulfonic acid

Systemtic Name: 2-azanyl-6-[2-sulfooxy-1-(2-sulfooxyethylsulfonyl)ethyl]naphthalene-1-sulfonic acid Openeye Name: 2-amino-6-[2-sulfooxy-1-(2-sulfooxyethylsulfonyl)ethyl]naphthalene-1-sulfonic acid CAS Name: 2-amino-6-[2-sulfooxy-1-(2-sulfooxyethylsulfonyl)ethyl]-1-naphthalenesulfonic acid IUPAC Name: 2-amino-6-[2-sulfooxy-1-(2-sulfooxyethylsulfonyl)ethyl]naphthalene-1-sulfonic acid Traditional Name: 2-amino-6-[2-sulfoxy-1-(2-sulfoxyethylsulfonyl)ethyl]naphthalene-1-sulfonic acid Formula: C14H17NO13S4 MolecularWeight: 535.54368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=CC(=C2S(=O)(=O)O)N)C=C1C(COS(=O)(=O)O)S(=O)(=O)CCOS(=O)(=O)O

InChI

InChI=1S/C14H17NO13S4/c15-12-4-2-9-7-10(1-3-11(9)14(12)30(18,19)20)13(8-28-32(24,25)26)29(16,17)6-5-27-31(21,22)23/h1-4,7,13H,5-6,8,15H2,(H,18,19,20)(H,21,22,23)(H,24,25,26)