N-ethylethanamine; (2-methanoylphenyl) butane-1-sulfonate

Systemtic Name: N-ethylethanamine; (2-methanoylphenyl) butane-1-sulfonate Openeye Name: N-ethylethanamine; (2-formylphenyl) butane-1-sulfonate CAS Name: 1-butanesulfonic acid; N-ethylethanamine IUPAC Name: N-ethylethanamine; (2-formylphenyl) butane-1-sulfonate Traditional Name: butane-1-sulfonic acid (2-formylphenyl) ester; diethylamine Formula: C15H25NO4S MolecularWeight: 315.4283

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=CC=CC=C1C=O.CCNCC

Isomeric SMILES

CCCCS(=O)(=O)OC1=CC=CC=C1C=O.CCNCC

InChI

InChI=1S/C11H14O4S.C4H11N/c1-2-3-8-16(13,14)15-11-7-5-4-6-10(11)9-12;1-3-5-4-2/h4-7,9H,2-3,8H2,1H3;5H,3-4H2,1-2H3