2-[3,4-bis(oxidanylidene)anthracen-2-yl]-2-sulfanyl-ethanoic acid

Systemtic Name: 2-[3,4-bis(oxidanylidene)anthracen-2-yl]-2-sulfanyl-ethanoic acid Openeye Name: 2-(3,4-dioxo-2-anthryl)-2-sulfanyl-acetic acid CAS Name: 2-(3,4-dioxo-2-anthracenyl)-2-mercaptoacetic acid IUPAC Name: 2-(3,4-dioxoanthracen-2-yl)-2-sulfanylacetic acid Traditional Name: 2-(3,4-diketo-2-anthryl)-2-mercapto-acetic acid Formula: C16H10O4S MolecularWeight: 298.3132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C3C(=CC2=C1)C=C(C(=O)C3=O)C(C(=O)O)S

Isomeric SMILES

C1=CC=C2C=C3C(=CC2=C1)C=C(C(=O)C3=O)C(C(=O)O)S

InChI

InChI=1S/C16H10O4S/c17-13-11-6-9-4-2-1-3-8(9)5-10(11)7-12(14(13)18)15(21)16(19)20/h1-7,15,21H,(H,19,20)