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P26

Summary
Name:4-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
Formula:C23 H26 O4
Formal charge:0
Formula weight:366.45 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-[2-(1,1,3,3-tetramethyl-2,3-dihydro-1H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid
OpenEye OEToolkits1.5.04-[2-(1,1,3,3-tetramethyl-2H-inden-5-yl)-1,3-dioxolan-2-yl]benzoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)c1ccc(cc1)C2(OCCO2)c3ccc4c(c3)C(C)(C)CC4(C)C
SMILES_CANONICALCACTVS3.341CC1(C)CC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O
SMILESCACTVS3.341CC1(C)CC(C)(C)c2cc(ccc12)C3(OCCO3)c4ccc(cc4)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C
SMILESOpenEye OEToolkits1.5.0CC1(CC(c2c1ccc(c2)C3(OCCO3)c4ccc(cc4)C(=O)O)(C)C)C
InChIInChI1.03InChI=1S/C23H26O4/c1-21(2)14-22(3,4)19-13-17(9-10-18(19)21)23(26-11-12-27-23)16-7-5-15(6-8-16)20(24)25/h5-10,13H,11-12,14H2,1-4H3,(H,24,25)
InChIKeyInChI1.03ISZBCQLHSNHWLM-UHFFFAOYSA-N

218853

PDB entries from 2024-04-24

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