ethanedioic acid; 1-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-3-phenoxy-propan-2-ol

Systemtic Name: ethanedioic acid; 1-[[3-methyl-1,1-bis(oxidanylidene)thiolan-3-yl]amino]-3-phenoxy-propan-2-ol Openeye Name: 1-[(3-methyl-1,1-dioxo-thiolan-3-yl)amino]-3-phenoxy-propan-2-ol; oxalic acid CAS Name: 1-[(3-methyl-1,1-dioxo-3-thiolanyl)amino]-3-phenoxy-2-propanol; oxalic acid IUPAC Name: 1-[(3-methyl-1,1-dioxothiolan-3-yl)amino]-3-phenoxypropan-2-ol; oxalic acid Traditional Name: 1-[(1,1-diketo-3-methyl-thiolan-3-yl)amino]-3-phenoxy-propan-2-ol; oxalic acid Formula: C16H23NO8S MolecularWeight: 389.42072

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1(CCS(=O)(=O)C1)NCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C14H21NO4S.C2H2O4/c1-14(7-8-20(17,18)11-14)15-9-12(16)10-19-13-5-3-2-4-6-13;3-1(4)2(5)6/h2-6,12,15-16H,7-11H2,1H3;(H,3,4)(H,5,6)