sodium 4-(carbamothioylamino)naphthalene-2,7-disulfonic acid

Systemtic Name: sodium 4-(carbamothioylamino)naphthalene-2,7-disulfonic acid Openeye Name: sodium 4-(carbamothioylamino)naphthalene-2,7-disulfonic acid CAS Name: sodium 4-(carbamothioylamino)naphthalene-2,7-disulfonic acid IUPAC Name: sodium 4-(carbamothioylamino)naphthalene-2,7-disulfonic acid Traditional Name: sodium 4-thioureidonaphthalene-2,7-disulfonic acid Formula: C11H10N2NaO6S3+ MolecularWeight: 385.39167

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=S)N.[Na+]

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=S)N.[Na+]

InChI

InChI=1S/C11H10N2O6S3.Na/c12-11(20)13-10-5-8(22(17,18)19)4-6-3-7(21(14,15)16)1-2-9(6)10;/h1-5H,(H3,12,13,20)(H,14,15,16)(H,17,18,19);/q;+1