2-butyl-16-methyl-6,9-dioctyl-7,8,18-trithia-1,20-diazabicyclo[15.3.0]icos-19-ene-6,9-diol

Systemtic Name: 2-butyl-16-methyl-6,9-dioctyl-7,8,18-trithia-1,20-diazabicyclo[15.3.0]icos-19-ene-6,9-diol Openeye Name: 2-butyl-16-methyl-6,9-dioctyl-7,8,18-trithia-1,20-diazabicyclo[15.3.0]icos-19-ene-6,9-diol CAS Name: 2-butyl-16-methyl-6,9-dioctyl-7,8,18-trithia-1,20-diazabicyclo[15.3.0]eicos-19-ene-6,9-diol IUPAC Name: 2-butyl-16-methyl-6,9-dioctyl-7,8,18-trithia-1,20-diazabicyclo[15.3.0]icos-19-ene-6,9-diol Traditional Name: 2-butyl-16-methyl-6,9-dioctyl-7,8,18-trithia-1,20-diazabicyclo[15.3.0]eicos-19-ene-6,9-diol Formula: C36H70N2O2S3 MolecularWeight: 659.1482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1(CCCCCCC(C2N(C(CCCC(SS1)(CCCCCCCC)O)CCCC)N=CS2)C)O

Isomeric SMILES

CCCCCCCCC1(CCCCCCC(C2N(C(CCCC(SS1)(CCCCCCCC)O)CCCC)N=CS2)C)O

InChI

InChI=1S/C36H70N2O2S3/c1-5-8-11-13-16-20-27-35(39)28-22-18-15-19-24-32(4)34-38(37-31-41-34)33(25-10-7-3)26-23-30-36(40,43-42-35)29-21-17-14-12-9-6-2/h31-34,39-40H,5-30H2,1-4H3