2,2-bis(hydroxymethyl)propane-1,3-diol; pentadecanethioyl 3-(3,5-ditert-butylphenyl)propaneperoxoate

Systemtic Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; pentadecanethioyl 3-(3,5-ditert-butylphenyl)propaneperoxoate Openeye Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; pentadecanethioyl 3-(3,5-ditert-butylphenyl)propaneperoxoate CAS Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; 3-(3,5-ditert-butylphenyl)propaneperoxoic acid 1-sulfanylidenepentadecyl ester IUPAC Name: 2,2-bis(hydroxymethyl)propane-1,3-diol; pentadecanethioyl 3-(3,5-ditert-butylphenyl)propaneperoxoate Traditional Name: 3-(3,5-ditert-butylphenyl)peroxypropionic acid pentadecanethioyl ester; 2,2-dimethylolpropane-1,3-diol Formula: C37H66O7S MolecularWeight: 654.98074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=S)OOC(=O)CCC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.C(C(CO)(CO)CO)O

Isomeric SMILES

CCCCCCCCCCCCCCC(=S)OOC(=O)CCC1=CC(=CC(=C1)C(C)(C)C)C(C)(C)C.C(C(CO)(CO)CO)O

InChI

InChI=1S/C32H54O3S.C5H12O4/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-30(36)35-34-29(33)22-21-26-23-27(31(2,3)4)25-28(24-26)32(5,6)7;6-1-5(2-7,3-8)4-9/h23-25H,8-22H2,1-7H3;6-9H,1-4H2