(E)-4-[3-(ethylamino)-3-(4-hydroxyphenyl)propyl]sulfonyloxy-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[3-(ethylamino)-3-(4-hydroxyphenyl)propyl]sulfonyloxy-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[3-(ethylamino)-3-(4-hydroxyphenyl)propyl]sulfonyloxy-4-oxo-but-2-enoic acid CAS Name: (E)-4-[3-(ethylamino)-3-(4-hydroxyphenyl)propyl]sulfonyloxy-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[3-(ethylamino)-3-(4-hydroxyphenyl)propyl]sulfonyloxy-4-oxobut-2-enoic acid Traditional Name: (E)-4-[3-(ethylamino)-3-(4-hydroxyphenyl)propyl]sulfonyloxy-4-keto-but-2-enoic acid Formula: C15H19NO7S MolecularWeight: 357.37886

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(CCS(=O)(=O)OC(=O)C=CC(=O)O)C1=CC=C(C=C1)O

Isomeric SMILES

CCNC(CCS(=O)(=O)OC(=O)/C=C/C(=O)O)C1=CC=C(C=C1)O

InChI

InChI=1S/C15H19NO7S/c1-2-16-13(11-3-5-12(17)6-4-11)9-10-24(21,22)23-15(20)8-7-14(18)19/h3-8,13,16-17H,2,9-10H2,1H3,(H,18,19)/b8-7+