disodium N-[9,10-bis(oxidanylidene)anthracen-1-yl]-N-(sulfonatoamino)sulfamate

Systemtic Name: disodium N-[9,10-bis(oxidanylidene)anthracen-1-yl]-N-(sulfonatoamino)sulfamate Openeye Name: disodium N-(9,10-dioxo-1-anthryl)-N-(sulfonatoamino)sulfamate CAS Name: disodium N-(9,10-dioxo-1-anthracenyl)-N-(sulfonatoamino)sulfamate IUPAC Name: disodium N-(9,10-dioxoanthracen-1-yl)-N-(sulfonatoamino)sulfamate Traditional Name: disodium N-(9,10-diketo-1-anthryl)-N-(sulfonatoamino)sulfamate Formula: C14H8N2Na2O8S2 MolecularWeight: 442.33146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H10N2O8S2.2Na/c17-13-8-4-1-2-5-9(8)14(18)12-10(13)6-3-7-11(12)16(26(22,23)24)15-25(19,20)21;;/h1-7,15H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2