3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; ethane; methane

Systemtic Name: 3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoic acid; ethane; methane Openeye Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoic acid; ethane; methane CAS Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; ethane; methane IUPAC Name: 3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoic acid; ethane; methane Traditional Name: 3-(3,5-ditert-butyl-4-hydroxy-phenyl)propionic acid; ethane; methane Formula: C73H122O12 MolecularWeight: 1191.74258

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Descriptors Computed from Structure

Canonical SMILES:

C.C.C.CC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

Isomeric SMILES

C.C.C.CC.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O.CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)O

InChI

InChI=1S/4C17H26O3.C2H6.3CH4/c4*1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6;1-2;;;/h4*9-10,20H,7-8H2,1-6H3,(H,18,19);1-2H3;3*1H4