tert-butyl 7-[2-[2-(ethylamino)ethylamino]ethylamino]-2-oxidanyl-heptanoate; 4-methylbenzenesulfonic acid

Systemtic Name: tert-butyl 7-[2-[2-(ethylamino)ethylamino]ethylamino]-2-oxidanyl-heptanoate; 4-methylbenzenesulfonic acid Openeye Name: tert-butyl 7-[2-[2-(ethylamino)ethylamino]ethylamino]-2-hydroxy-heptanoate; 4-methylbenzenesulfonic acid CAS Name: 7-[2-[2-(ethylamino)ethylamino]ethylamino]-2-hydroxyheptanoic acid tert-butyl ester; 4-methylbenzenesulfonic acid IUPAC Name: tert-butyl 7-[2-[2-(ethylamino)ethylamino]ethylamino]-2-hydroxyheptanoate; 4-methylbenzenesulfonic acid Traditional Name: 7-[2-[2-(ethylamino)ethylamino]ethylamino]-2-hydroxy-enanthic acid tert-butyl ester; tosylic acid Formula: C24H45N3O6S MolecularWeight: 503.6956

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCNCCNCCCCCC(C(=O)OC(C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCNCCNCCNCCCCCC(C(=O)OC(C)(C)C)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C17H37N3O3.C7H8O3S/c1-5-18-11-12-20-14-13-19-10-8-6-7-9-15(21)16(22)23-17(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h15,18-21H,5-14H2,1-4H3;2-5H,1H3,(H,8,9,10)