4-[1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)isoindol-5-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(3-oxidanylpropyl)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-(3-hydroxypropyl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-(3-hydroxypropyl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-(3-hydroxypropyl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[2-(3-hydroxypropyl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoic acid Formula: C18H15NO7S MolecularWeight: 389.3792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCO

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)CCCO

InChI

InChI=1S/C18H15NO7S/c20-9-1-8-19-16(21)14-7-6-13(10-15(14)17(19)22)27(25,26)12-4-2-11(3-5-12)18(23)24/h2-7,10,20H,1,8-9H2,(H,23,24)