1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethyl-pentan-3-yl]-2-methyl-phenoxy]-3-methyl-butan-2-ol

Systemtic Name: 1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethyl-pentan-3-yl]-2-methyl-phenoxy]-3-methyl-butan-2-ol Openeye Name: 1-[4-[3-[3,4-bis(hydroxymethyl)phenyl]-1,1-diethyl-propyl]-2-methyl-phenoxy]-3-methyl-butan-2-ol CAS Name: 1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethylpentan-3-yl]-2-methylphenoxy]-3-methyl-2-butanol IUPAC Name: 1-[4-[1-[3,4-bis(hydroxymethyl)phenyl]-3-ethylpentan-3-yl]-2-methylphenoxy]-3-methylbutan-2-ol Traditional Name: 1-[4-[3-(3,4-dimethylolphenyl)-1,1-diethyl-propyl]-2-methyl-phenoxy]-3-methyl-butan-2-ol Formula: C27H40O4 MolecularWeight: 428.6041

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(CCC1=CC(=C(C=C1)CO)CO)C2=CC(=C(C=C2)OCC(C(C)C)O)C

Isomeric SMILES

CCC(CC)(CCC1=CC(=C(C=C1)CO)CO)C2=CC(=C(C=C2)OCC(C(C)C)O)C

InChI

InChI=1S/C27H40O4/c1-6-27(7-2,13-12-21-8-9-22(16-28)23(15-21)17-29)24-10-11-26(20(5)14-24)31-18-25(30)19(3)4/h8-11,14-15,19,25,28-30H,6-7,12-13,16-18H2,1-5H3