2-[2,3-bis(2-methylheptan-2-yl)-4-oxidanyl-phenoxy]carbonylbenzoic acid

Systemtic Name: 2-[2,3-bis(2-methylheptan-2-yl)-4-oxidanyl-phenoxy]carbonylbenzoic acid Openeye Name: 2-[2,3-bis(1,1-dimethylhexyl)-4-hydroxy-phenoxy]carbonylbenzoic acid CAS Name: 2-[[4-hydroxy-2,3-bis(2-methylheptan-2-yl)phenoxy]-oxomethyl]benzoic acid IUPAC Name: 2-[4-hydroxy-2,3-bis(2-methylheptan-2-yl)phenoxy]carbonylbenzoic acid Traditional Name: 2-[2,3-bis(1,1-dimethylhexyl)-4-hydroxy-phenoxy]carbonylbenzoic acid Formula: C30H42O5 MolecularWeight: 482.65148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=C(C=CC(=C1C(C)(C)CCCCC)OC(=O)C2=CC=CC=C2C(=O)O)O

Isomeric SMILES

CCCCCC(C)(C)C1=C(C=CC(=C1C(C)(C)CCCCC)OC(=O)C2=CC=CC=C2C(=O)O)O

InChI

InChI=1S/C30H42O5/c1-7-9-13-19-29(3,4)25-23(31)17-18-24(26(25)30(5,6)20-14-10-8-2)35-28(34)22-16-12-11-15-21(22)27(32)33/h11-12,15-18,31H,7-10,13-14,19-20H2,1-6H3,(H,32,33)