4-(4-methylphenyl)sulfonyl-10-octadecyl-1,7-dioxa-4,10-diazacyclododecane

Systemtic Name: 4-(4-methylphenyl)sulfonyl-10-octadecyl-1,7-dioxa-4,10-diazacyclododecane Openeye Name: 4-octadecyl-10-(p-tolylsulfonyl)-1,7-dioxa-4,10-diazacyclododecane CAS Name: 4-(4-methylphenyl)sulfonyl-10-octadecyl-1,7-dioxa-4,10-diazacyclododecane IUPAC Name: 4-(4-methylphenyl)sulfonyl-10-octadecyl-1,7-dioxa-4,10-diazacyclododecane Traditional Name: 4-stearyl-10-tosyl-1,7-dioxa-4,10-diazacyclododecane Formula: C33H60N2O4S MolecularWeight: 580.9055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1CCOCCN(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1CCOCCN(CCOCC1)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C33H60N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-34-24-28-38-30-26-35(27-31-39-29-25-34)40(36,37)33-21-19-32(2)20-22-33/h19-22H,3-18,23-31H2,1-2H3