[4-(4-tert-butylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-tert-butylbenzoate

Systemtic Name: [4-(4-tert-butylphenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-tert-butylbenzoate Openeye Name: [4-(4-tert-butylbenzoyl)oxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [4-[(4-tert-butylphenyl)-oxomethoxy]-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(4-tert-butylbenzoyl)oxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [4-(4-tert-butylbenzoyl)oxy-3,6-diketo-5-undecyl-cyclohexa-1,4-dien-1-yl] ester Formula: C39H50O6 MolecularWeight: 614.8107

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC=C(C=C2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC=C(C=C2)C(C)(C)C)OC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C39H50O6/c1-8-9-10-11-12-13-14-15-16-17-31-34(41)33(44-36(42)27-18-22-29(23-19-27)38(2,3)4)26-32(40)35(31)45-37(43)28-20-24-30(25-21-28)39(5,6)7/h18-26H,8-17H2,1-7H3