5-nonyl-4-oxidanyl-1-benzothiophene-6,7-dione

Systemtic Name: 5-nonyl-4-oxidanyl-1-benzothiophene-6,7-dione Openeye Name: 4-hydroxy-5-nonyl-benzothiophene-6,7-dione CAS Name: 4-hydroxy-5-nonyl-1-benzothiophene-6,7-dione IUPAC Name: 4-hydroxy-5-nonyl-1-benzothiophene-6,7-dione Traditional Name: 4-hydroxy-5-nonyl-benzothiophene-6,7-quinone Formula: C17H22O3S MolecularWeight: 306.41978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=C2)O

Isomeric SMILES

CCCCCCCCCC1=C(C2=C(C(=O)C1=O)SC=C2)O

InChI

InChI=1S/C17H22O3S/c1-2-3-4-5-6-7-8-9-12-14(18)13-10-11-21-17(13)16(20)15(12)19/h10-11,18H,2-9H2,1H3