1-(2-diethylaminoethyl)pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid

Systemtic Name: 1-(2-diethylaminoethyl)pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid Openeye Name: 1-(2-diethylaminoethyl)pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid CAS Name: 1-(2-diethylaminoethyl)pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid IUPAC Name: 1-(2-diethylaminoethyl)pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid Traditional Name: 1-(2-diethylaminoethyl)-3-pyrroline-2,5-quinone; 3-phenylbenzene-1,2-disulfonic acid Formula: C22H26N2O8S2 MolecularWeight: 510.58044

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCN1C(=O)C=CC1=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CCN(CC)CCN1C(=O)C=CC1=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H10O6S2.C10H16N2O2/c13-19(14,15)11-8-4-7-10(12(11)20(16,17)18)9-5-2-1-3-6-9;1-3-11(4-2)7-8-12-9(13)5-6-10(12)14/h1-8H,(H,13,14,15)(H,16,17,18);5-6H,3-4,7-8H2,1-2H3