1-[6-[(2-hydroxyphenyl)carbonylamino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid

Systemtic Name: 1-[6-[(2-hydroxyphenyl)carbonylamino]hexanoyloxy]-2,5-bis(oxidanylidene)pyrrolidine-3-sulfonic acid Openeye Name: 1-[6-[(2-hydroxybenzoyl)amino]hexanoyloxy]-2,5-dioxo-pyrrolidine-3-sulfonic acid CAS Name: 1-[6-[[(2-hydroxyphenyl)-oxomethyl]amino]-1-oxohexoxy]-2,5-dioxo-3-pyrrolidinesulfonic acid IUPAC Name: 1-[6-[(2-hydroxybenzoyl)amino]hexanoyloxy]-2,5-dioxopyrrolidine-3-sulfonic acid Traditional Name: 2,5-diketo-1-[6-(salicyloylamino)hexanoyloxy]pyrrolidine-3-sulfonic acid Formula: C17H20N2O9S MolecularWeight: 428.4137

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)C2=CC=CC=C2O)S(=O)(=O)O

Isomeric SMILES

C1C(C(=O)N(C1=O)OC(=O)CCCCCNC(=O)C2=CC=CC=C2O)S(=O)(=O)O

InChI

InChI=1S/C17H20N2O9S/c20-12-7-4-3-6-11(12)16(23)18-9-5-1-2-8-15(22)28-19-14(21)10-13(17(19)24)29(25,26)27/h3-4,6-7,13,20H,1-2,5,8-10H2,(H,18,23)(H,25,26,27)