[2,2-bis(hydroxymethyl)-1-oxidanyl-nonan-3-yl] 3-sulfanylpropanoate; 2,2-bis(hydroxymethyl)propane-1,3-diol

Systemtic Name: [2,2-bis(hydroxymethyl)-1-oxidanyl-nonan-3-yl] 3-sulfanylpropanoate; 2,2-bis(hydroxymethyl)propane-1,3-diol Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 1-[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]heptyl 3-sulfanylpropanoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-mercaptopropanoic acid [1-hydroxy-2,2-bis(hydroxymethyl)nonan-3-yl] ester IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; [1-hydroxy-2,2-bis(hydroxymethyl)nonan-3-yl] 3-sulfanylpropanoate Traditional Name: 2,2-dimethylolpropane-1,3-diol; 3-mercaptopropionic acid 1-(2-hydroxy-1,1-dimethylol-ethyl)heptyl ester Formula: C19H40O9S MolecularWeight: 444.5805

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(CO)(CO)CO)OC(=O)CCS.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCC(C(CO)(CO)CO)OC(=O)CCS.C(C(CO)(CO)CO)O

InChI

InChI=1S/C14H28O5S.C5H12O4/c1-2-3-4-5-6-12(19-13(18)7-8-20)14(9-15,10-16)11-17;6-1-5(2-7,3-8)4-9/h12,15-17,20H,2-11H2,1H3;6-9H,1-4H2