2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethanesulfonic acid

Systemtic Name: 2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethanesulfonic acid Openeye Name: 2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethanesulfonic acid CAS Name: 2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethanesulfonic acid IUPAC Name: 2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethanesulfonic acid Traditional Name: 2-(1,4,7,10,13-pentazacyclopentadec-1-yl)ethanesulfonic acid Formula: C12H29N5O3S MolecularWeight: 323.45536

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCNCCN(CCNCCN1)CCS(=O)(=O)O

Isomeric SMILES

C1CNCCNCCN(CCNCCN1)CCS(=O)(=O)O

InChI

InChI=1S/C12H29N5O3S/c18-21(19,20)12-11-17-9-7-15-5-3-13-1-2-14-4-6-16-8-10-17/h13-16H,1-12H2,(H,18,19,20)