2-[1-cyano-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate; pyridin-1-ium

Systemtic Name: 2-[1-cyano-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate; pyridin-1-ium Openeye Name: 2-[(1-cyano-9,10-dioxo-2-anthryl)sulfanyl]acetate; pyridin-1-ium CAS Name: 2-[(1-cyano-9,10-dioxo-2-anthracenyl)thio]acetate; pyridin-1-ium IUPAC Name: 2-(1-cyano-9,10-dioxoanthracen-2-yl)sulfanylacetate; pyridin-1-ium Traditional Name: 2-[(1-cyano-9,10-diketo-2-anthryl)thio]acetate; pyridin-1-ium Formula: C22H14N2O4S MolecularWeight: 402.42256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C=C1.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCC(=O)[O-])C#N

Isomeric SMILES

C1=CC=[NH+]C=C1.C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)SCC(=O)[O-])C#N

InChI

InChI=1S/C17H9NO4S.C5H5N/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;1-2-4-6-5-3-1/h1-6H,8H2,(H,19,20);1-5H