1-[3-(dimethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid Openeye Name: 1-[3-(dimethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid CAS Name: 1-[3-(dimethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid IUPAC Name: 1-[3-(dimethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid Traditional Name: 1-[3-(dimethylamino)propyl]-3-pyrroline-2,5-quinone; 3-phenylbenzene-1,2-disulfonic acid Formula: C21H24N2O8S2 MolecularWeight: 496.55386

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C(=O)C=CC1=O.C1=CC=C(C=C1)C2=C(C(=CC=C2)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN(C)CCCN1C(=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.C9H14N2O2/c13-19(14,15)11-8-4-7-10(12(11)20(16,17)18)9-5-2-1-3-6-9;1-10(2)6-3-7-11-8(12)4-5-9(11)13/h1-8H,(H,13,14,15)(H,16,17,18);4-5H,3,6-7H2,1-2H3