decanedioic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione

Systemtic Name: decanedioic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione Openeye Name: decanedioic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione CAS Name: decanedioic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione IUPAC Name: decanedioic acid; 4-phenyl-1,2,4-triazolidine-3,5-dithione Traditional Name: 4-phenyl-1,2,4-triazolidine-3,5-dithione; sebacic acid Formula: C26H32N6O4S4 MolecularWeight: 620.83008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=S)NNC2=S.C1=CC=C(C=C1)N2C(=S)NNC2=S.C(CCCCC(=O)O)CCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)N2C(=S)NNC2=S.C1=CC=C(C=C1)N2C(=S)NNC2=S.C(CCCCC(=O)O)CCCC(=O)O

InChI

InChI=1S/C10H18O4.2C8H7N3S2/c11-9(12)7-5-3-1-2-4-6-8-10(13)14;2*12-7-9-10-8(13)11(7)6-4-2-1-3-5-6/h1-8H2,(H,11,12)(H,13,14);2*1-5H,(H,9,12)(H,10,13)