[2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-chloranyl-5-ethoxy-4-oxidanyl-benzoate Openeye Name: (2-oxo-2-tetralin-6-yl-ethyl) 3-chloro-5-ethoxy-4-hydroxy-benzoate CAS Name: 3-chloro-5-ethoxy-4-hydroxybenzoic acid [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-chloro-5-ethoxy-4-hydroxybenzoate Traditional Name: 3-chloro-5-ethoxy-4-hydroxy-benzoic acid (2-keto-2-tetralin-6-yl-ethyl) ester Formula: C21H21ClO5 MolecularWeight: 388.84144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2)Cl)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC3=C(CCCC3)C=C2)Cl)O

InChI

InChI=1S/C21H21ClO5/c1-2-26-19-11-16(10-17(22)20(19)24)21(25)27-12-18(23)15-8-7-13-5-3-4-6-14(13)9-15/h7-11,24H,2-6,12H2,1H3