tetrasodium 2-carboxy-9,10-bis(oxidanylidene)-1H-anthracene-1,2,3,4-tetrasulfonate

Systemtic Name: tetrasodium 2-carboxy-9,10-bis(oxidanylidene)-1H-anthracene-1,2,3,4-tetrasulfonate Openeye Name: tetrasodium 2-carboxy-9,10-dioxo-1H-anthracene-1,2,3,4-tetrasulfonate CAS Name: tetrasodium 2-carboxy-9,10-dioxo-1H-anthracene-1,2,3,4-tetrasulfonate IUPAC Name: tetrasodium 2-carboxy-9,10-dioxo-1H-anthracene-1,2,3,4-tetrasulfonate Traditional Name: tetrasodium 2-carboxy-9,10-diketo-1H-anthracene-1,2,3,4-tetrasulfonate Formula: C15H6Na4O16S4 MolecularWeight: 662.41762

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(C3S(=O)(=O)[O-])(C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C(C3S(=O)(=O)[O-])(C(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C15H10O16S4.4Na/c16-9-5-3-1-2-4-6(5)10(17)8-7(9)11(32(20,21)22)13(34(26,27)28)15(14(18)19,35(29,30)31)12(8)33(23,24)25;;;;/h1-4,12H,(H,18,19)(H,20,21,22)(H,23,24,25)(H,26,27,28)(H,29,30,31);;;;/q;4*+1/p-4