[2,2-dimethyl-3-(pentylamino)propyl] 4-azanylbenzoate; sulfuric acid

Systemtic Name: [2,2-dimethyl-3-(pentylamino)propyl] 4-azanylbenzoate; sulfuric acid Openeye Name: [2,2-dimethyl-3-(pentylamino)propyl] 4-aminobenzoate; sulfuric acid CAS Name: 4-aminobenzoic acid [2,2-dimethyl-3-(pentylamino)propyl] ester; sulfuric acid IUPAC Name: [2,2-dimethyl-3-(pentylamino)propyl] 4-aminobenzoate; sulfuric acid Traditional Name: 4-aminobenzoic acid [3-(amylamino)-2,2-dimethyl-propyl] ester; sulfuric acid Formula: C34H58N4O8S MolecularWeight: 682.91132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC(C)(C)COC(=O)C1=CC=C(C=C1)N.CCCCCNCC(C)(C)COC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)O

Isomeric SMILES

CCCCCNCC(C)(C)COC(=O)C1=CC=C(C=C1)N.CCCCCNCC(C)(C)COC(=O)C1=CC=C(C=C1)N.OS(=O)(=O)O

InChI

InChI=1S/2C17H28N2O2.H2O4S/c2*1-4-5-6-11-19-12-17(2,3)13-21-16(20)14-7-9-15(18)10-8-14;1-5(2,3)4/h2*7-10,19H,4-6,11-13,18H2,1-3H3;(H2,1,2,3,4)