2-[(6-chloranyl-9-oxidanylidene-xanthen-4-yl)methylsulfanyl]benzoic acid

Systemtic Name: 2-[(6-chloranyl-9-oxidanylidene-xanthen-4-yl)methylsulfanyl]benzoic acid Openeye Name: 2-[(6-chloro-9-oxo-xanthen-4-yl)methylsulfanyl]benzoic acid CAS Name: 2-[(6-chloro-9-oxo-4-xanthenyl)methylthio]benzoic acid IUPAC Name: 2-[(6-chloro-9-oxoxanthen-4-yl)methylsulfanyl]benzoic acid Traditional Name: 2-[(6-chloro-9-keto-xanthen-4-yl)methylthio]benzoic acid Formula: C21H13ClO4S MolecularWeight: 396.84352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=CC3=C2OC4=C(C3=O)C=CC(=C4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC2=CC=CC3=C2OC4=C(C3=O)C=CC(=C4)Cl

InChI

InChI=1S/C21H13ClO4S/c22-13-8-9-14-17(10-13)26-20-12(4-3-6-16(20)19(14)23)11-27-18-7-2-1-5-15(18)21(24)25/h1-10H,11H2,(H,24,25)