8-(carbamothioylamino)naphthalene-1,2,3-trisulfonic acid

Systemtic Name: 8-(carbamothioylamino)naphthalene-1,2,3-trisulfonic acid Openeye Name: 8-(carbamothioylamino)naphthalene-1,2,3-trisulfonic acid CAS Name: 8-(carbamothioylamino)naphthalene-1,2,3-trisulfonic acid IUPAC Name: 8-(carbamothioylamino)naphthalene-1,2,3-trisulfonic acid Traditional Name: 8-thioureidonaphthalene-1,2,3-trisulfonic acid Formula: C11H10N2O9S4 MolecularWeight: 442.4651

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC(=C(C(=C2C(=C1)NC(=S)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=CC(=C(C(=C2C(=C1)NC(=S)N)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

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