dipotassium 6-(2-azanylethanethioylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate

Systemtic Name: dipotassium 6-(2-azanylethanethioylamino)-1,3-bis(oxidanylidene)benzo[de]isoquinoline-5,8-disulfonate Openeye Name: dipotassium 6-[(2-aminoethanethioyl)amino]-1,3-dioxo-benzo[de]isoquinoline-5,8-disulfonate CAS Name: dipotassium 6-[(2-amino-1-sulfanylideneethyl)amino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate IUPAC Name: dipotassium 6-[(2-aminoethanethioyl)amino]-1,3-dioxobenzo[de]isoquinoline-5,8-disulfonate Traditional Name: dipotassium 6-[(2-aminothioacetyl)amino]-1,3-diketo-benzo[de]isoquinoline-5,8-disulfonate Formula: C14H9K2N3O8S3 MolecularWeight: 521.62816

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C2C3=C1C(=O)NC(=O)C3=CC(=C2NC(=S)CN)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

Isomeric SMILES

C1=C(C=C2C3=C1C(=O)NC(=O)C3=CC(=C2NC(=S)CN)S(=O)(=O)[O-])S(=O)(=O)[O-].[K+].[K+]

InChI

InChI=1S/C14H11N3O8S3.2K/c15-4-10(26)16-12-6-1-5(27(20,21)22)2-7-11(6)8(14(19)17-13(7)18)3-9(12)28(23,24)25;;/h1-3H,4,15H2,(H,16,26)(H,17,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2