2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 5-oxidanyl-4-[3-[(2E)-2-phenylmethoxyiminocyclododecyl]propanoyl]thiophen-3-one

Systemtic Name: 2-azanyl-2-(hydroxymethyl)propane-1,3-diol; 5-oxidanyl-4-[3-[(2E)-2-phenylmethoxyiminocyclododecyl]propanoyl]thiophen-3-one Openeye Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 4-[3-[(2E)-2-benzyloxyiminocyclododecyl]propanoyl]-5-hydroxy-thiophen-3-one CAS Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-hydroxy-4-[1-oxo-3-[(2E)-2-phenylmethoxyiminocyclododecyl]propyl]-3-thiophenone IUPAC Name: 2-amino-2-(hydroxymethyl)propane-1,3-diol; 5-hydroxy-4-[3-[(2E)-2-phenylmethoxyiminocyclododecyl]propanoyl]thiophen-3-one Traditional Name: 2-amino-2-methylol-propane-1,3-diol; 4-[3-[(2E)-2-benzyloximinocyclododecyl]propanoyl]-5-hydroxy-thiophen-3-one Formula: C30H46N2O7S MolecularWeight: 578.76044

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCCCC(=NOCC2=CC=CC=C2)C(CCCC1)CCC(=O)C3=C(SCC3=O)O.C(C(CO)(CO)N)O

Isomeric SMILES

C1CCCCC/C(=N\OCC2=CC=CC=C2)/C(CCCC1)CCC(=O)C3=C(SCC3=O)O.C(C(CO)(CO)N)O

InChI

InChI=1S/C26H35NO4S.C4H11NO3/c28-23(25-24(29)19-32-26(25)30)17-16-21-14-10-5-3-1-2-4-6-11-15-22(21)27-31-18-20-12-8-7-9-13-20;5-4(1-6,2-7)3-8/h7-9,12-13,21,30H,1-6,10-11,14-19H2;6-8H,1-3,5H2/b27-22+;