benzene-1,3-diol; methanal; 4-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: benzene-1,3-diol; methanal; 4-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: benzene-1,3-diol; formaldehyde; 4-(1,1,3,3-tetramethylbutyl)phenol CAS Name: benzene-1,3-diol; formaldehyde; 4-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: benzene-1,3-diol; formaldehyde; 4-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: formaldehyde; resorcinol; 4-(1,1,3,3-tetramethylbutyl)phenol Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22O.C6H6O2.CH2O/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;7-5-2-1-3-6(8)4-5;1-2/h6-9,15H,10H2,1-5H3;1-4,7-8H;1H2