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2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid

2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid

Systemtic Name:2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
Openeye Name:2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
CAS Name:2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
IUPAC Name:2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propanoic acid
Traditional Name:2-(4a,10a-dihydrophenoxathiin-3-ylsulfonylamino)-3-(4-hydroxyphenyl)propionic acid
Formula: C21H19NO6S2
MolecularWeight: 445.50866
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3C=C(C=CC3S2)S(=O)(=O)NC(CC4=CC=C(C=C4)O)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)OC3C=C(C=CC3S2)S(=O)(=O)NC(CC4=CC=C(C=C4)O)C(=O)O


InChI

InChI=1S/C21H19NO6S2/c23-14-7-5-13(6-8-14)11-16(21(24)25)22-30(26,27)15-9-10-20-18(12-15)28-17-3-1-2-4-19(17)29-20/h1-10,12,16,18,20,22-23H,11H2,(H,24,25)


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