8-(2-azanylethanoylamino)naphthalene-1,3,5-trisulfonic acid; sodium

Systemtic Name: 8-(2-azanylethanoylamino)naphthalene-1,3,5-trisulfonic acid; sodium Openeye Name: 8-[(2-aminoacetyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium CAS Name: 8-[(2-amino-1-oxoethyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium IUPAC Name: 8-[(2-aminoacetyl)amino]naphthalene-1,3,5-trisulfonic acid; sodium Traditional Name: 8-(glycylamino)naphthalene-1,3,5-trisulfonic acid; sodium Formula: C12H12N2NaO10S3 MolecularWeight: 463.41585

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NC(=O)CN)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NC(=O)CN)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C12H12N2O10S3.Na/c13-5-11(15)14-8-1-2-9(26(19,20)21)7-3-6(25(16,17)18)4-10(12(7)8)27(22,23)24;/h1-4H,5,13H2,(H,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24);