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

Systemtic Name: 4,7-bis(2-methylheptan-2-yl)-1-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 4,7-bis(1,1-dimethylhexyl)-1-hydroxy-naphthalene-2-carboxylic acid CAS Name: 1-hydroxy-4,7-bis(2-methylheptan-2-yl)-2-naphthalenecarboxylic acid IUPAC Name: 1-hydroxy-4,7-bis(2-methylheptan-2-yl)naphthalene-2-carboxylic acid Traditional Name: 4,7-bis(1,1-dimethylhexyl)-1-hydroxy-2-naphthoic acid Formula: C27H40O3 MolecularWeight: 412.6047

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H40O3/c1-7-9-11-15-26(3,4)19-13-14-20-21(17-19)24(28)22(25(29)30)18-23(20)27(5,6)16-12-10-8-2/h13-14,17-18,28H,7-12,15-16H2,1-6H3,(H,29,30)