3-(aminomethyl)-2,4-bis(hydroxymethyl)-6-[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]phenol

Systemtic Name: 3-(aminomethyl)-2,4-bis(hydroxymethyl)-6-[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]phenol Openeye Name: 3-(aminomethyl)-6-[1,1-dimethyl-6-[2-(2-thienyl)ethoxy]hexyl]-2,4-bis(hydroxymethyl)phenol CAS Name: 3-(aminomethyl)-2,4-bis(hydroxymethyl)-6-[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]phenol IUPAC Name: 3-(aminomethyl)-2,4-bis(hydroxymethyl)-6-[2-methyl-7-(2-thiophen-2-ylethoxy)heptan-2-yl]phenol Traditional Name: 3-(aminomethyl)-6-[1,1-dimethyl-6-[2-(2-thienyl)ethoxy]hexyl]-2,4-dimethylol-phenol Formula: C23H35NO4S MolecularWeight: 421.5933

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCOCCC1=CC=CS1)C2=C(C(=C(C(=C2)CO)CN)CO)O

Isomeric SMILES

CC(C)(CCCCCOCCC1=CC=CS1)C2=C(C(=C(C(=C2)CO)CN)CO)O

InChI

InChI=1S/C23H35NO4S/c1-23(2,9-4-3-5-10-28-11-8-18-7-6-12-29-18)21-13-17(15-25)19(14-24)20(16-26)22(21)27/h6-7,12-13,25-27H,3-5,8-11,14-16,24H2,1-2H3