2-azanylidene-5-oxidanyl-6-undecyl-1,3-benzoxathiole-4,7-dione

Systemtic Name: 2-azanylidene-5-oxidanyl-6-undecyl-1,3-benzoxathiole-4,7-dione Openeye Name: 5-hydroxy-2-imino-6-undecyl-1,3-benzoxathiole-4,7-dione CAS Name: 5-hydroxy-2-imino-6-undecyl-1,3-benzoxathiole-4,7-dione IUPAC Name: 5-hydroxy-2-imino-6-undecyl-1,3-benzoxathiole-4,7-dione Traditional Name: 5-hydroxy-2-imino-6-undecyl-1,3-benzoxathiole-4,7-quinone Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)OC(=N)S2)O

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)OC(=N)S2)O

InChI

InChI=1S/C18H25NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13(20)15(22)17-16(14(12)21)23-18(19)24-17/h19-20H,2-11H2,1H3