4-nonylbenzene-1,2,3-triol; 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2,3-triol

Systemtic Name: 4-nonylbenzene-1,2,3-triol; 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2,3-triol Openeye Name: 4-nonylbenzene-1,2,3-triol; 4-(1,1,3,3-tetramethylbutyl)benzene-1,2,3-triol CAS Name: 4-nonylbenzene-1,2,3-triol; 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2,3-triol IUPAC Name: 4-nonylbenzene-1,2,3-triol; 4-(2,4,4-trimethylpentan-2-yl)benzene-1,2,3-triol Traditional Name: 4-nonylpyrogallol; 4-(1,1,3,3-tetramethylbutyl)pyrogallol Formula: C29H46O6 MolecularWeight: 490.67194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C=C1)O)O)O.CC(C)(C)CC(C)(C)C1=C(C(=C(C=C1)O)O)O

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C=C1)O)O)O.CC(C)(C)CC(C)(C)C1=C(C(=C(C=C1)O)O)O

InChI

InChI=1S/C15H24O3.C14H22O3/c1-2-3-4-5-6-7-8-9-12-10-11-13(16)15(18)14(12)17;1-13(2,3)8-14(4,5)9-6-7-10(15)12(17)11(9)16/h10-11,16-18H,2-9H2,1H3;6-7,15-17H,8H2,1-5H3