4-(3-methanoyl-1-benzothiophen-5-yl)benzoic acid

Systemtic Name: 4-(3-methanoyl-1-benzothiophen-5-yl)benzoic acid Openeye Name: 4-(3-formylbenzothiophen-5-yl)benzoic acid CAS Name: 4-(3-formyl-1-benzothiophen-5-yl)benzoic acid IUPAC Name: 4-(3-formyl-1-benzothiophen-5-yl)benzoic acid Traditional Name: 4-(3-formylbenzothiophen-5-yl)benzoic acid Formula: C16H10O3S MolecularWeight: 282.3138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC3=C(C=C2)SC=C3C=O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC3=C(C=C2)SC=C3C=O)C(=O)O

InChI

InChI=1S/C16H10O3S/c17-8-13-9-20-15-6-5-12(7-14(13)15)10-1-3-11(4-2-10)16(18)19/h1-9H,(H,18,19)