(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamodithioic acid

Systemtic Name: (6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)carbamodithioic acid Openeye Name: (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamodithioic acid CAS Name: (6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)carbamodithioic acid IUPAC Name: (6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)carbamodithioic acid Traditional Name: (6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)carbamodithioic acid Formula: C13H14N2O2S2 MolecularWeight: 294.39246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=S)S)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)NC(=S)S)O)C

InChI

InChI=1S/C13H14N2O2S2/c1-13(2)11(16)10(15-12(18)19)8-5-7(6-14)3-4-9(8)17-13/h3-5,10-11,16H,1-2H3,(H2,15,18,19)