3-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propane-1-sulfonic acid

Systemtic Name: 3-[6-azanyl-5,8-diethanoyl-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]propane-1-sulfonic acid Openeye Name: 3-(5,8-diacetyl-6-amino-1,3-dioxo-benzo[de]isoquinolin-2-yl)propane-1-sulfonic acid CAS Name: 3-(5,8-diacetyl-6-amino-1,3-dioxo-2-benzo[de]isoquinolinyl)-1-propanesulfonic acid IUPAC Name: 3-(5,8-diacetyl-6-amino-1,3-dioxobenzo[de]isoquinolin-2-yl)propane-1-sulfonic acid Traditional Name: 3-(5,8-diacetyl-6-amino-1,3-diketo-benzo[de]isoquinolin-2-yl)propane-1-sulfonic acid Formula: C19H18N2O7S MolecularWeight: 418.42042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C3C(=C1)C(=C(C=C3C(=O)N(C2=O)CCCS(=O)(=O)O)C(=O)C)N

Isomeric SMILES

CC(=O)C1=CC2=C3C(=C1)C(=C(C=C3C(=O)N(C2=O)CCCS(=O)(=O)O)C(=O)C)N

InChI

InChI=1S/C19H18N2O7S/c1-9(22)11-6-13-16-14(7-11)18(24)21(4-3-5-29(26,27)28)19(25)15(16)8-12(10(2)23)17(13)20/h6-8H,3-5,20H2,1-2H3,(H,26,27,28)