benzoic acid; 1-[1-[2-(2-hydroxyethyloxy)ethoxy]-2-oxidanyl-ethyl]thiourea

Systemtic Name: benzoic acid; 1-[1-[2-(2-hydroxyethyloxy)ethoxy]-2-oxidanyl-ethyl]thiourea Openeye Name: benzoic acid; [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]thiourea CAS Name: benzoic acid; [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]thiourea IUPAC Name: benzoic acid; [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]thiourea Traditional Name: benzoic acid; [2-hydroxy-1-[2-(2-hydroxyethoxy)ethoxy]ethyl]thiourea Formula: C21H28N2O8S MolecularWeight: 468.52062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C(COCCOC(CO)NC(=S)N)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)O.C1=CC=C(C=C1)C(=O)O.C(COCCOC(CO)NC(=S)N)O

InChI

InChI=1S/C7H16N2O4S.2C7H6O2/c8-7(14)9-6(5-11)13-4-3-12-2-1-10;2*8-7(9)6-4-2-1-3-5-6/h6,10-11H,1-5H2,(H3,8,9,14);2*1-5H,(H,8,9)