5,7-bis(2-methylheptan-2-yl)-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 5,7-bis(2-methylheptan-2-yl)-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 5,7-bis(1,1-dimethylhexyl)-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 3-hydroxy-5,7-bis(2-methylheptan-2-yl)-2-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-5,7-bis(2-methylheptan-2-yl)naphthalene-2-carboxylic acid Traditional Name: 5,7-bis(1,1-dimethylhexyl)-3-hydroxy-2-naphthoic acid Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC2=CC(=C(C=C2C(=C1)C(C)(C)CCCCC)O)C(=O)O

Isomeric SMILES

CCCCCC(C)(C)C1=CC2=CC(=C(C=C2C(=C1)C(C)(C)CCCCC)O)C(=O)O

InChI

InChI=1S/C27H40O3/c1-7-9-11-13-26(3,4)20-15-19-16-22(25(29)30)24(28)18-21(19)23(17-20)27(5,6)14-12-10-8-2/h15-18,28H,7-14H2,1-6H3,(H,29,30)