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1,5-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid

1,5-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name:1,5-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid
Openeye Name:1,5-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid
CAS Name:1,5-diisothiocyanato-1-cyclohexa-2,4-dienecarboxylic acid
IUPAC Name:1,5-diisothiocyanatocyclohexa-2,4-diene-1-carboxylic acid
Traditional Name:1,5-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/h1-3H,4H2,(H,12,13)


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