1,3-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 1,3-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 1,3-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid CAS Name: 1,3-diisothiocyanato-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 1,3-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 1,3-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid Formula: C9H6N2O2S2 MolecularWeight: 238.28614

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC(=CC1(C(=O)O)N=C=S)N=C=S

Isomeric SMILES

C1C=CC(=CC1(C(=O)O)N=C=S)N=C=S

InChI

InChI=1S/C9H6N2O2S2/c12-8(13)9(11-6-15)3-1-2-7(4-9)10-5-14/h1-2,4H,3H2,(H,12,13)