5-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]-2-methyl-benzene-1,3-disulfonic acid

Systemtic Name: 5-[[1,1-bis(oxidanylidene)thiolan-3-yl]carbamothioylamino]-2-methyl-benzene-1,3-disulfonic acid Openeye Name: 5-[(1,1-dioxothiolan-3-yl)carbamothioylamino]-2-methyl-benzene-1,3-disulfonic acid CAS Name: 5-[[[(1,1-dioxo-3-thiolanyl)amino]-sulfanylidenemethyl]amino]-2-methylbenzene-1,3-disulfonic acid IUPAC Name: 5-[(1,1-dioxothiolan-3-yl)carbamothioylamino]-2-methylbenzene-1,3-disulfonic acid Traditional Name: 5-[(1,1-diketothiolan-3-yl)thiocarbamoylamino]-2-methyl-benzene-1,3-disulfonic acid Formula: C12H16N2O8S4 MolecularWeight: 444.52404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)O)NC(=S)NC2CCS(=O)(=O)C2)S(=O)(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)O)NC(=S)NC2CCS(=O)(=O)C2)S(=O)(=O)O

InChI

InChI=1S/C12H16N2O8S4/c1-7-10(25(17,18)19)4-9(5-11(7)26(20,21)22)14-12(23)13-8-2-3-24(15,16)6-8/h4-5,8H,2-3,6H2,1H3,(H2,13,14,23)(H,17,18,19)(H,20,21,22)