2-azanyl-5-hexadecoxy-4-(3-methylheptan-3-yl)phenol hydrochloride

Systemtic Name: 2-azanyl-5-hexadecoxy-4-(3-methylheptan-3-yl)phenol hydrochloride Openeye Name: 2-amino-4-(1-ethyl-1-methyl-pentyl)-5-hexadecoxy-phenol hydrochloride CAS Name: 2-amino-5-hexadecoxy-4-(3-methylheptan-3-yl)phenol hydrochloride IUPAC Name: 2-amino-5-hexadecoxy-4-(3-methylheptan-3-yl)phenol hydrochloride Traditional Name: 2-amino-5-cetyloxy-4-(1-ethyl-1-methyl-pentyl)phenol hydrochloride Formula: C30H56ClNO2 MolecularWeight: 498.22414

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(CC)CCCC)N)O.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(CC)CCCC)N)O.Cl

InChI

InChI=1S/C30H55NO2.ClH/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-33-29-25-28(32)27(31)24-26(29)30(4,7-3)22-9-6-2;/h24-25,32H,5-23,31H2,1-4H3;1H