5-(1-benzothiophen-2-ylmethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one

Systemtic Name: 5-(1-benzothiophen-2-ylmethyl)-2-oxidanyl-cyclohepta-2,4,6-trien-1-one Openeye Name: 5-(benzothiophen-2-ylmethyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one CAS Name: 5-(1-benzothiophen-2-ylmethyl)-2-hydroxy-1-cyclohepta-2,4,6-trienone IUPAC Name: 5-(1-benzothiophen-2-ylmethyl)-2-hydroxycyclohepta-2,4,6-trien-1-one Traditional Name: 5-(benzothiophen-2-ylmethyl)-2-hydroxy-cyclohepta-2,4,6-trien-1-one Formula: C16H12O2S MolecularWeight: 268.33028

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(S2)CC3=CC=C(C(=O)C=C3)O

Isomeric SMILES

C1=CC=C2C(=C1)C=C(S2)CC3=CC=C(C(=O)C=C3)O

InChI

InChI=1S/C16H12O2S/c17-14-7-5-11(6-8-15(14)18)9-13-10-12-3-1-2-4-16(12)19-13/h1-8,10H,9H2,(H,17,18)