5-(1-benzothiophen-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione

Systemtic Name: 5-(1-benzothiophen-5-yl)-2-(1-oxidanylpropylidene)cyclohexane-1,3-dione Openeye Name: 5-(benzothiophen-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione CAS Name: 5-(1-benzothiophen-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione IUPAC Name: 5-(1-benzothiophen-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-dione Traditional Name: 5-(benzothiophen-5-yl)-2-(1-hydroxypropylidene)cyclohexane-1,3-quinone Formula: C17H16O3S MolecularWeight: 300.37214

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)SC=C3)O

Isomeric SMILES

CCC(=C1C(=O)CC(CC1=O)C2=CC3=C(C=C2)SC=C3)O

InChI

InChI=1S/C17H16O3S/c1-2-13(18)17-14(19)8-12(9-15(17)20)10-3-4-16-11(7-10)5-6-21-16/h3-7,12,18H,2,8-9H2,1H3