[4-hexanoyloxy-2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanyl)phenyl] 4-oxidanylbenzoate

Systemtic Name: [4-hexanoyloxy-2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanyl)phenyl] 4-oxidanylbenzoate Openeye Name: [4-hexanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate CAS Name: 4-hydroxybenzoic acid [2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)-4-(1-oxohexoxy)phenyl] ester IUPAC Name: [4-hexanoyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 4-hydroxybenzoate Traditional Name: 4-hydroxybenzoic acid [4-caproyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] ester Formula: C31H28O9 MolecularWeight: 544.54862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)C3=CC=C(C=C3)O)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C31H28O9/c1-2-3-4-5-24(35)39-29-25(18-6-12-21(32)13-7-18)28(37)30(40-31(38)20-10-16-23(34)17-11-20)26(27(29)36)19-8-14-22(33)15-9-19/h6-17,32-34,36-37H,2-5H2,1H3