4-[1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(3-hydroxypropyl)-1,3-dioxo-benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(3-hydroxypropyl)-1,3-dioxo-6-benzo[de]isoquinolinyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(3-hydroxypropyl)-1,3-dioxobenzo[de]isoquinolin-6-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(3-hydroxypropyl)-1,3-diketo-benzo[de]isoquinolin-6-yl]sulfonylbenzoic acid Formula: C22H17NO7S MolecularWeight: 439.43788

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCO)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)N(C3=O)CCCO)S(=O)(=O)C4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C22H17NO7S/c24-12-2-11-23-20(25)16-4-1-3-15-18(10-9-17(19(15)16)21(23)26)31(29,30)14-7-5-13(6-8-14)22(27)28/h1,3-10,24H,2,11-12H2,(H,27,28)