7-heptadecyl-8-oxidanyl-2-sulfanylidene-1H-quinoline-5,6-dione

Systemtic Name: 7-heptadecyl-8-oxidanyl-2-sulfanylidene-1H-quinoline-5,6-dione Openeye Name: 7-heptadecyl-8-hydroxy-2-thioxo-1H-quinoline-5,6-dione CAS Name: 7-heptadecyl-8-hydroxy-2-sulfanylidene-1H-quinoline-5,6-dione IUPAC Name: 7-heptadecyl-8-hydroxy-2-sulfanylidene-1H-quinoline-5,6-dione Traditional Name: 7-heptadecyl-8-hydroxy-2-thioxo-1H-quinoline-5,6-quinone Formula: C26H39NO3S MolecularWeight: 445.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C2=C(C=CC(=S)N2)C(=O)C1=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C2=C(C=CC(=S)N2)C(=O)C1=O)O

InChI

InChI=1S/C26H39NO3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-24(28)23-20(25(29)26(21)30)18-19-22(31)27-23/h18-19,28H,2-17H2,1H3,(H,27,31)