decanedioic acid; 6-(2-methylpropyl)-1,4-dihydroquinoxaline-2,3-dithione

Systemtic Name: decanedioic acid; 6-(2-methylpropyl)-1,4-dihydroquinoxaline-2,3-dithione Openeye Name: decanedioic acid; 6-isobutyl-1,4-dihydroquinoxaline-2,3-dithione CAS Name: decanedioic acid; 6-(2-methylpropyl)-1,4-dihydroquinoxaline-2,3-dithione IUPAC Name: decanedioic acid; 6-(2-methylpropyl)-1,4-dihydroquinoxaline-2,3-dithione Traditional Name: 6-isobutyl-1,4-dihydroquinoxaline-2,3-dithione; sebacic acid Formula: C22H32N2O4S2 MolecularWeight: 452.63048

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC2=C(C=C1)NC(=S)C(=S)N2.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

CC(C)CC1=CC2=C(C=C1)NC(=S)C(=S)N2.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C12H14N2S2.C10H18O4/c1-7(2)5-8-3-4-9-10(6-8)14-12(16)11(15)13-9;11-9(12)7-5-3-1-2-4-6-8-10(13)14/h3-4,6-7H,5H2,1-2H3,(H,13,15)(H,14,16);1-8H2,(H,11,12)(H,13,14)