2-[(2-hydroxyphenyl)methyl]-1,3-bis(oxidanyl)-4-(3-phenylpropanoyl)xanthen-9-one

Systemtic Name: 2-[(2-hydroxyphenyl)methyl]-1,3-bis(oxidanyl)-4-(3-phenylpropanoyl)xanthen-9-one Openeye Name: 1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-4-(3-phenylpropanoyl)xanthen-9-one CAS Name: 1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-4-(1-oxo-3-phenylpropyl)-9-xanthenone IUPAC Name: 1,3-dihydroxy-2-[(2-hydroxyphenyl)methyl]-4-(3-phenylpropanoyl)xanthen-9-one Traditional Name: 4-hydrocinnamoyl-1,3-dihydroxy-2-salicyl-xanthone Formula: C29H22O6 MolecularWeight: 466.48138

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C3=C2OC4=CC=CC=C4C3=O)O)CC5=CC=CC=C5O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)C2=C(C(=C(C3=C2OC4=CC=CC=C4C3=O)O)CC5=CC=CC=C5O)O

InChI

InChI=1S/C29H22O6/c30-21-12-6-4-10-18(21)16-20-27(33)24(22(31)15-14-17-8-2-1-3-9-17)29-25(28(20)34)26(32)19-11-5-7-13-23(19)35-29/h1-13,30,33-34H,14-16H2