8-octyl-3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14-diene-16-thione

Systemtic Name: 8-octyl-3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14-diene-16-thione Openeye Name: 8-octyl-3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14-diene-16-thione CAS Name: 8-octyl-3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14-diene-16-thione IUPAC Name: 8-octyl-3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14-diene-16-thione Traditional Name: 8-octyl-3,6,9,12-tetraoxa-18-azabicyclo[12.3.1]octadeca-1(17),14-diene-16-thione Formula: C21H35NO4S MolecularWeight: 397.5719

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1COCCOCC2=CC(=S)C=C(N2)COCCO1

Isomeric SMILES

CCCCCCCCC1COCCOCC2=CC(=S)C=C(N2)COCCO1

InChI

InChI=1S/C21H35NO4S/c1-2-3-4-5-6-7-8-20-17-25-10-9-23-15-18-13-21(27)14-19(22-18)16-24-11-12-26-20/h13-14,20H,2-12,15-17H2,1H3,(H,22,27)