phenyl 3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate

Systemtic Name: phenyl 3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate Openeye Name: phenyl 3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate CAS Name: 3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonic acid phenyl ester IUPAC Name: phenyl 3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonate Traditional Name: 3-(3-hydroxyphenyl)-2-(4-hydroxyphenyl)-7-oxabicyclo[2.2.1]hept-2-ene-5-sulfonic acid phenyl ester Formula: C24H20O6S MolecularWeight: 436.477

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2C(=C(C1O2)C3=CC=C(C=C3)O)C4=CC(=CC=C4)O)S(=O)(=O)OC5=CC=CC=C5

Isomeric SMILES

C1C(C2C(=C(C1O2)C3=CC=C(C=C3)O)C4=CC(=CC=C4)O)S(=O)(=O)OC5=CC=CC=C5

InChI

InChI=1S/C24H20O6S/c25-17-11-9-15(10-12-17)22-20-14-21(31(27,28)30-19-7-2-1-3-8-19)24(29-20)23(22)16-5-4-6-18(26)13-16/h1-13,20-21,24-26H,14H2