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

Systemtic Name: 1-[3-(diethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid Openeye Name: 1-[3-(diethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid CAS Name: 1-[3-(diethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid IUPAC Name: 1-[3-(diethylamino)propyl]pyrrole-2,5-dione; 3-phenylbenzene-1,2-disulfonic acid Traditional Name: 1-[3-(diethylamino)propyl]-3-pyrroline-2,5-quinone; 3-phenylbenzene-1,2-disulfonic acid Formula: C23H28N2O8S2 MolecularWeight: 524.60702

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)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

CCN(CC)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.C11H18N2O2/c13-19(14,15)11-8-4-7-10(12(11)20(16,17)18)9-5-2-1-3-6-9;1-3-12(4-2)8-5-9-13-10(14)6-7-11(13)15/h1-8H,(H,13,14,15)(H,16,17,18);6-7H,3-5,8-9H2,1-2H3