2-[(2-oxidanylidenebenzo[h]chromen-4-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(2-oxidanylidenebenzo[h]chromen-4-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-oxobenzo[h]chromen-4-yl)methylsulfanyl]acetic acid CAS Name: 2-[(2-oxo-4-benzo[h][1]benzopyranyl)methylthio]acetic acid IUPAC Name: 2-[(2-oxobenzo[h]chromen-4-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(2-ketobenzo[h]chromen-4-yl)methylthio]acetic acid Formula: C16H12O4S MolecularWeight: 300.32908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2OC(=O)C=C3CSCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2OC(=O)C=C3CSCC(=O)O

InChI

InChI=1S/C16H12O4S/c17-14(18)9-21-8-11-7-15(19)20-16-12-4-2-1-3-10(12)5-6-13(11)16/h1-7H,8-9H2,(H,17,18)