3-bicyclo[2.2.0]hexa-1(4),2,5-trienylmethanediol; 3-ethynyl-2-methyl-1-phenyl-heptan-2-ol

Systemtic Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienylmethanediol; 3-ethynyl-2-methyl-1-phenyl-heptan-2-ol Openeye Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienylmethanediol; 3-ethynyl-2-methyl-1-phenyl-heptan-2-ol CAS Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienylmethanediol; 3-ethynyl-2-methyl-1-phenyl-2-heptanol IUPAC Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienylmethanediol; 3-ethynyl-2-methyl-1-phenylheptan-2-ol Traditional Name: 3-bicyclo[2.2.0]hexa-1(4),2,5-trienylmethanediol; 3-butyl-2-methyl-1-phenyl-pent-4-yn-2-ol Formula: C23H28O3 MolecularWeight: 352.46662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C#C)C(C)(CC1=CC=CC=C1)O.C1=CC2=C1C=C2C(O)O

Isomeric SMILES

CCCCC(C#C)C(C)(CC1=CC=CC=C1)O.C1=CC2=C1C=C2C(O)O

InChI

InChI=1S/C16H22O.C7H6O2/c1-4-6-12-15(5-2)16(3,17)13-14-10-8-7-9-11-14;8-7(9)6-3-4-1-2-5(4)6/h2,7-11,15,17H,4,6,12-13H2,1,3H3;1-3,7-9H