2-azanyl-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol; 4-methylbenzenesulfonic acid

Systemtic Name: 2-azanyl-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol; 4-methylbenzenesulfonic acid Openeye Name: 2-amino-4-hexadecoxy-5-(1,1,3,3-tetramethylbutyl)phenol; 4-methylbenzenesulfonic acid CAS Name: 2-amino-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol; 4-methylbenzenesulfonic acid IUPAC Name: 2-amino-4-hexadecoxy-5-(2,4,4-trimethylpentan-2-yl)phenol; 4-methylbenzenesulfonic acid Traditional Name: 2-amino-4-cetyloxy-5-(1,1,3,3-tetramethylbutyl)phenol; tosylic acid Formula: C37H63NO5S MolecularWeight: 633.96482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)N.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC(=C(C=C1C(C)(C)CC(C)(C)C)O)N.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C30H55NO2.C7H8O3S/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;1-6-2-4-7(5-3-6)11(8,9)10/h22-23,32H,7-21,24,31H2,1-6H3;2-5H,1H3,(H,8,9,10)