4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid

Systemtic Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-oxidanyl-prop-1-ynyl]benzoic acid Openeye Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid CAS Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid IUPAC Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxyprop-1-ynyl]benzoic acid Traditional Name: 4-[3-[3,5-ditert-butyl-2-(methoxymethoxy)phenyl]-3-hydroxy-prop-1-ynyl]benzoic acid Formula: C26H32O5 MolecularWeight: 424.52928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OCOC)C(C#CC2=CC=C(C=C2)C(=O)O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)C(C)(C)C)OCOC)C(C#CC2=CC=C(C=C2)C(=O)O)O

InChI

InChI=1S/C26H32O5/c1-25(2,3)19-14-20(23(31-16-30-7)21(15-19)26(4,5)6)22(27)13-10-17-8-11-18(12-9-17)24(28)29/h8-9,11-12,14-15,22,27H,16H2,1-7H3,(H,28,29)