5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane

Systemtic Name: 5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane Openeye Name: 5,9-bis(benzyloxymethyl)-1-thia-4,7,10-triazacyclododecane CAS Name: 5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane IUPAC Name: 5,9-bis(phenylmethoxymethyl)-1-thia-4,7,10-triazacyclododecane Traditional Name: 5,9-bis(benzoxymethyl)-1-thia-4,7,10-triazacyclododecane Formula: C24H35N3O2S MolecularWeight: 429.6186

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCNC(CNCC(N1)COCC2=CC=CC=C2)COCC3=CC=CC=C3

Isomeric SMILES

C1CSCCNC(CNCC(N1)COCC2=CC=CC=C2)COCC3=CC=CC=C3

InChI

InChI=1S/C24H35N3O2S/c1-3-7-21(8-4-1)17-28-19-23-15-25-16-24(27-12-14-30-13-11-26-23)20-29-18-22-9-5-2-6-10-22/h1-10,23-27H,11-20H2