2-[1-cyano-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[1-cyano-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoic acid Openeye Name: 2-[(1-cyano-9,10-dioxo-2-anthryl)sulfanyl]acetic acid CAS Name: 2-[(1-cyano-9,10-dioxo-2-anthracenyl)thio]acetic acid IUPAC Name: 2-(1-cyano-9,10-dioxoanthracen-2-yl)sulfanylacetic acid Traditional Name: 2-[(1-cyano-9,10-diketo-2-anthryl)thio]acetic acid Formula: C17H9NO4S MolecularWeight: 323.32266

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCC(=O)O)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCC(=O)O)C#N

InChI

InChI=1S/C17H9NO4S/c18-7-12-13(23-8-14(19)20)6-5-11-15(12)17(22)10-4-2-1-3-9(10)16(11)21/h1-6H,8H2,(H,19,20)