3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one hydrate

Systemtic Name: 3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-5,7-bis(oxidanyl)chromen-4-one hydrate Openeye Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one hydrate CAS Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)-1-benzopyran-4-one hydrate IUPAC Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one hydrate Traditional Name: 5,7-dihydroxy-3-(4-hydroxyphenyl)-8-(3-methylbut-2-enyl)chromone hydrate Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O)C.O

Isomeric SMILES

CC(=CCC1=C(C=C(C2=C1OC=C(C2=O)C3=CC=C(C=C3)O)O)O)C.O

InChI

InChI=1S/C20H18O5.H2O/c1-11(2)3-8-14-16(22)9-17(23)18-19(24)15(10-25-20(14)18)12-4-6-13(21)7-5-12;/h3-7,9-10,21-23H,8H2,1-2H3;1H2