ethenylbenzene; prop-1-en-2-ylbenzene; 2-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: ethenylbenzene; prop-1-en-2-ylbenzene; 2-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: isopropenylbenzene; styrene; 2-(1,1,3,3-tetramethylbutyl)phenol CAS Name: 1-methylethenylbenzene; styrene; 2-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: prop-1-en-2-ylbenzene; styrene; 2-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: isopropenylbenzene; styrene; 2-(1,1,3,3-tetramethylbutyl)phenol Formula: C31H40O MolecularWeight: 428.6487

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=CC=CC=C1.CC(C)(C)CC(C)(C)C1=CC=CC=C1O.C=CC1=CC=CC=C1

Isomeric SMILES

CC(=C)C1=CC=CC=C1.CC(C)(C)CC(C)(C)C1=CC=CC=C1O.C=CC1=CC=CC=C1

InChI

InChI=1S/C14H22O.C9H10.C8H8/c1-13(2,3)10-14(4,5)11-8-6-7-9-12(11)15;1-8(2)9-6-4-3-5-7-9;1-2-8-6-4-3-5-7-8/h6-9,15H,10H2,1-5H3;3-7H,1H2,2H3;2-7H,1H2