[4-[(3S)-3-acetyloxybutanoyl]oxy-2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] (3S)-3-acetyloxybutanoate

Systemtic Name: [4-[(3S)-3-acetyloxybutanoyl]oxy-2,5-bis(4-hydroxyphenyl)-3,6-bis(oxidanylidene)cyclohexa-1,4-dien-1-yl] (3S)-3-acetyloxybutanoate Openeye Name: [4-[(3S)-3-acetoxybutanoyl]oxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-cyclohexa-1,4-dien-1-yl] (3S)-3-acetoxybutanoate CAS Name: (3S)-3-acetyloxybutanoic acid [4-[(3S)-3-acetyloxy-1-oxobutoxy]-2,5-bis(4-hydroxyphenyl)-3,6-dioxo-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-[(3S)-3-acetyloxybutanoyl]oxy-2,5-bis(4-hydroxyphenyl)-3,6-dioxocyclohexa-1,4-dien-1-yl] (3S)-3-acetyloxybutanoate Traditional Name: (3S)-3-acetoxybutyric acid [4-[(3S)-3-acetoxybutanoyl]oxy-2,5-bis(4-hydroxyphenyl)-3,6-diketo-cyclohexa-1,4-dien-1-yl] ester Formula: C30H28O12 MolecularWeight: 580.53612

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC1=C(C(=O)C(=C(C1=O)C2=CC=C(C=C2)O)OC(=O)CC(C)OC(=O)C)C3=CC=C(C=C3)O)OC(=O)C

Isomeric SMILES

C[C@@H](CC(=O)OC1=C(C(=O)C(=C(C1=O)C2=CC=C(C=C2)O)OC(=O)C[C@H](C)OC(=O)C)C3=CC=C(C=C3)O)OC(=O)C

InChI

InChI=1S/C30H28O12/c1-15(39-17(3)31)13-23(35)41-29-25(19-5-9-21(33)10-6-19)28(38)30(42-24(36)14-16(2)40-18(4)32)26(27(29)37)20-7-11-22(34)12-8-20/h5-12,15-16,33-34H,13-14H2,1-4H3/t15-,16-/m0/s1