3-(4-isothiocyanatophenyl)pentanedioic acid

Systemtic Name: 3-(4-isothiocyanatophenyl)pentanedioic acid Openeye Name: 3-(4-isothiocyanatophenyl)pentanedioic acid CAS Name: 3-(4-isothiocyanatophenyl)pentanedioic acid IUPAC Name: 3-(4-isothiocyanatophenyl)pentanedioic acid Traditional Name: 3-(4-isothiocyanatophenyl)glutaric acid Formula: C12H11NO4S MolecularWeight: 265.28504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)N=C=S

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)O)CC(=O)O)N=C=S

InChI

InChI=1S/C12H11NO4S/c14-11(15)5-9(6-12(16)17)8-1-3-10(4-2-8)13-7-18/h1-4,9H,5-6H2,(H,14,15)(H,16,17)