4,7-bis(2-methylbutan-2-yl)-1-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 4,7-bis(2-methylbutan-2-yl)-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4,7-bis(1,1-dimethylpropyl)-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4,7-bis(2-methylbutan-2-yl)-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4,7-bis(2-methylbutan-2-yl)naphthalene-2-carboxylic acid Traditional Name: 4,7-ditert-amyl-1-hydroxy-2-naphthoic acid Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC2=C(C(=CC(=C2C=C1)C(C)(C)CC)C(=O)O)O

Isomeric SMILES

CCC(C)(C)C1=CC2=C(C(=CC(=C2C=C1)C(C)(C)CC)C(=O)O)O

InChI

InChI=1S/C21H28O3/c1-7-20(3,4)13-9-10-14-15(11-13)18(22)16(19(23)24)12-17(14)21(5,6)8-2/h9-12,22H,7-8H2,1-6H3,(H,23,24)