sodium 2-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate

Systemtic Name: sodium 2-[1-azanyl-9,10-bis(oxidanylidene)anthracen-2-yl]sulfanylethanoate Openeye Name: sodium 2-[(1-amino-9,10-dioxo-2-anthryl)sulfanyl]acetate CAS Name: sodium 2-[(1-amino-9,10-dioxo-2-anthracenyl)thio]acetate IUPAC Name: sodium 2-(1-amino-9,10-dioxoanthracen-2-yl)sulfanylacetate Traditional Name: sodium 2-[(1-amino-9,10-diketo-2-anthryl)thio]acetate Formula: C16H10NNaO4S MolecularWeight: 335.30967

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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-])N.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C16H11NO4S.Na/c17-14-11(22-7-12(18)19)6-5-10-13(14)16(21)9-4-2-1-3-8(9)15(10)20;/h1-6H,7,17H2,(H,18,19);/q;+1/p-1