4-(2-azanylethoxy)-N-hexadecyl-1-oxidanyl-naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid

Systemtic Name: 4-(2-azanylethoxy)-N-hexadecyl-1-oxidanyl-naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid Openeye Name: 4-(2-aminoethoxy)-N-hexadecyl-1-hydroxy-naphthalene-2-carboxamide; 4-methylbenzenesulfonic acid CAS Name: 4-(2-aminoethoxy)-N-hexadecyl-1-hydroxy-2-naphthalenecarboxamide; 4-methylbenzenesulfonic acid IUPAC Name: 4-(2-aminoethoxy)-N-hexadecyl-1-hydroxynaphthalene-2-carboxamide; 4-methylbenzenesulfonic acid Traditional Name: 4-(2-aminoethoxy)-N-cetyl-1-hydroxy-2-naphthamide; tosylic acid Formula: C36H54N2O6S MolecularWeight: 642.88876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCN)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCN)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C29H46N2O3.C7H8O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-31-29(33)26-23-27(34-22-20-30)24-18-15-16-19-25(24)28(26)32;1-6-2-4-7(5-3-6)11(8,9)10/h15-16,18-19,23,32H,2-14,17,20-22,30H2,1H3,(H,31,33);2-5H,1H3,(H,8,9,10)