4-[2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-8,8-dimethyl-5-oxidanyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoic acid

Systemtic Name: 4-[2-[5-(2-ethoxy-2-oxidanylidene-ethyl)-8,8-dimethyl-5-oxidanyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoic acid Openeye Name: 4-[2-[1-(2-ethoxy-2-oxo-ethyl)-1-hydroxy-4,4-dimethyl-tetralin-6-yl]ethynyl]benzoic acid CAS Name: 4-[2-[5-(2-ethoxy-2-oxoethyl)-5-hydroxy-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoic acid IUPAC Name: 4-[2-[5-(2-ethoxy-2-oxoethyl)-5-hydroxy-8,8-dimethyl-6,7-dihydronaphthalen-2-yl]ethynyl]benzoic acid Traditional Name: 4-[2-[1-(2-ethoxy-2-keto-ethyl)-1-hydroxy-4,4-dimethyl-tetralin-6-yl]ethynyl]benzoic acid Formula: C25H26O5 MolecularWeight: 406.47094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26O5/c1-4-30-22(26)16-25(29)14-13-24(2,3)21-15-18(9-12-20(21)25)6-5-17-7-10-19(11-8-17)23(27)28/h7-12,15,29H,4,13-14,16H2,1-3H3,(H,27,28)