benzene-1,2,3-triol; 2,3-ditert-butyl-4-methyl-phenol

Systemtic Name: benzene-1,2,3-triol; 2,3-ditert-butyl-4-methyl-phenol Openeye Name: benzene-1,2,3-triol; 2,3-ditert-butyl-4-methyl-phenol CAS Name: benzene-1,2,3-triol; 2,3-ditert-butyl-4-methylphenol IUPAC Name: benzene-1,2,3-triol; 2,3-ditert-butyl-4-methylphenol Traditional Name: 2,3-ditert-butyl-4-methyl-phenol; pyrogallol Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)O)C(C)(C)C)C(C)(C)C.C1=CC(=C(C(=C1)O)O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)O)C(C)(C)C)C(C)(C)C.C1=CC(=C(C(=C1)O)O)O

InChI

InChI=1S/C15H24O.C6H6O3/c1-10-8-9-11(16)13(15(5,6)7)12(10)14(2,3)4;7-4-2-1-3-5(8)6(4)9/h8-9,16H,1-7H3;1-3,7-9H