ethanamine; 2-naphthalen-1-yloxy-2-[(E)-2-phenylethenyl]sulfonyl-butanoic acid

Systemtic Name: ethanamine; 2-naphthalen-1-yloxy-2-[(E)-2-phenylethenyl]sulfonyl-butanoic acid Openeye Name: ethanamine; 2-(1-naphthyloxy)-2-[(E)-styryl]sulfonyl-butanoic acid CAS Name: ethanamine; 2-(1-naphthalenyloxy)-2-[(E)-2-phenylethenyl]sulfonylbutanoic acid IUPAC Name: ethanamine; 2-naphthalen-1-yloxy-2-[(E)-2-phenylethenyl]sulfonylbutanoic acid Traditional Name: ethylamine; 2-(1-naphthoxy)-2-[(E)-styryl]sulfonyl-butyric acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)(OC1=CC=CC2=CC=CC=C21)S(=O)(=O)C=CC3=CC=CC=C3.CCN

Isomeric SMILES

CCC(C(=O)O)(OC1=CC=CC2=CC=CC=C21)S(=O)(=O)/C=C/C3=CC=CC=C3.CCN

InChI

InChI=1S/C22H20O5S.C2H7N/c1-2-22(21(23)24,28(25,26)16-15-17-9-4-3-5-10-17)27-20-14-8-12-18-11-6-7-13-19(18)20;1-2-3/h3-16H,2H2,1H3,(H,23,24);2-3H2,1H3/b16-15+;