10-isothiocyanatoanthracene-9-carboxylic acid

Systemtic Name: 10-isothiocyanatoanthracene-9-carboxylic acid Openeye Name: 10-isothiocyanatoanthracene-9-carboxylic acid CAS Name: 10-isothiocyanato-9-anthracenecarboxylic acid IUPAC Name: 10-isothiocyanatoanthracene-9-carboxylic acid Traditional Name: 10-isothiocyanatoanthracene-9-carboxylic acid Formula: C16H9NO2S MolecularWeight: 279.31316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2N=C=S)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2N=C=S)C(=O)O

InChI

InChI=1S/C16H9NO2S/c18-16(19)14-10-5-1-3-7-12(10)15(17-9-20)13-8-4-2-6-11(13)14/h1-8H,(H,18,19)