sodium 8-(carbamothioylamino)naphthalene-1,3,6-trisulfonic acid

Systemtic Name: sodium 8-(carbamothioylamino)naphthalene-1,3,6-trisulfonic acid Openeye Name: sodium 8-(carbamothioylamino)naphthalene-1,3,6-trisulfonic acid CAS Name: sodium 8-(carbamothioylamino)naphthalene-1,3,6-trisulfonic acid IUPAC Name: sodium 8-(carbamothioylamino)naphthalene-1,3,6-trisulfonic acid Traditional Name: sodium 8-thioureidonaphthalene-1,3,6-trisulfonic acid Formula: C11H10N2NaO9S4+ MolecularWeight: 465.45487

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=S)N)S(=O)(=O)O)S(=O)(=O)O.[Na+]

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=S)N)S(=O)(=O)O)S(=O)(=O)O.[Na+]

InChI

InChI=1S/C11H10N2O9S4.Na/c12-11(23)13-8-3-6(24(14,15)16)1-5-2-7(25(17,18)19)4-9(10(5)8)26(20,21)22;/h1-4H,(H3,12,13,23)(H,14,15,16)(H,17,18,19)(H,20,21,22);/q;+1