4-ethylbenzaldehyde; 3-(methylamino)propane-1-sulfonic acid

Systemtic Name: 4-ethylbenzaldehyde; 3-(methylamino)propane-1-sulfonic acid Openeye Name: 4-ethylbenzaldehyde; 3-(methylamino)propane-1-sulfonic acid CAS Name: 4-ethylbenzaldehyde; 3-(methylamino)-1-propanesulfonic acid IUPAC Name: 4-ethylbenzaldehyde; 3-(methylamino)propane-1-sulfonic acid Traditional Name: 4-ethylbenzaldehyde; 3-(methylamino)propane-1-sulfonic acid Formula: C13H21NO4S MolecularWeight: 287.37514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C=O.CNCCCS(=O)(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)C=O.CNCCCS(=O)(=O)O

InChI

InChI=1S/C9H10O.C4H11NO3S/c1-2-8-3-5-9(7-10)6-4-8;1-5-3-2-4-9(6,7)8/h3-7H,2H2,1H3;5H,2-4H2,1H3,(H,6,7,8)