sodium 2-azanyl-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol

Systemtic Name: sodium 2-azanyl-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol Openeye Name: sodium 2-amino-4-hexadecoxy-5-(1,1,3,3-tetramethylbutyl)phenol CAS Name: sodium 2-amino-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol IUPAC Name: sodium 2-amino-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol Traditional Name: sodium 2-amino-4-cetyloxy-5-(1,1,3,3-tetramethylbutyl)phenol Formula: C30H55NNaO2+ MolecularWeight: 484.75297

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)N.[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)N.[Na+]

InChI

InChI=1S/C30H55NO2.Na/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-33-28-23-26(31)27(32)22-25(28)30(5,6)24-29(2,3)4;/h22-23,32H,7-21,24,31H2,1-6H3;/q;+1