12-dodecylsulfanyl-N1,N3,N5,N7,N9,N11-hexakis[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]dodecane-1,3,5,7,9,11-hexacarboxamide

Systemtic Name: 12-dodecylsulfanyl-N1,N3,N5,N7,N9,N11-hexakis[2-(hydroxymethyl)-1,3-bis(oxidanyl)propan-2-yl]dodecane-1,3,5,7,9,11-hexacarboxamide Openeye Name: 12-dodecylsulfanyl-N1,N3,N5,N7,N9,N11-hexakis[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]dodecane-1,3,5,7,9,11-hexacarboxamide CAS Name: N1,N3,N5,N7,N9,N11-hexakis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-12-(dodecylthio)dodecane-1,3,5,7,9,11-hexacarboxamide IUPAC Name: 1-N,3-N,5-N,7-N,9-N,11-N-hexakis[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-12-dodecylsulfanyldodecane-1,3,5,7,9,11-hexacarboxamide Traditional Name: N1,N3,N5,N7,N9,N11-hexakis(2-hydroxy-1,1-dimethylol-ethyl)-12-(laurylthio)dodecane-1,3,5,7,9,11-hexacarboxamide Formula: C54H104N6O24S MolecularWeight: 1253.49436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(CC(CC(CC(CC(CCC(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCCCCSCC(CC(CC(CC(CC(CCC(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO)C(=O)NC(CO)(CO)CO

InChI

InChI=1S/C54H104N6O24S/c1-2-3-4-5-6-7-8-9-10-11-14-85-19-42(48(84)60-54(35-76,36-77)37-78)18-41(47(83)59-53(32-73,33-74)34-75)17-40(46(82)58-52(29-70,30-71)31-72)16-39(45(81)57-51(26-67,27-68)28-69)15-38(44(80)56-50(23-64,24-65)25-66)12-13-43(79)55-49(20-61,21-62)22-63/h38-42,61-78H,2-37H2,1H3,(H,55,79)(H,56,80)(H,57,81)(H,58,82)(H,59,83)(H,60,84)