[2-chloranyl-6-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-oxolan-2-yl)-3-methyl-octa-2,6-dienyl]-4-methanoyl-3-methyl-5-oxidanyl-phenyl] pyridine-3-carboxylate

Systemtic Name: [2-chloranyl-6-[(2E,6E)-7-(5,5-dimethyl-4-oxidanylidene-oxolan-2-yl)-3-methyl-octa-2,6-dienyl]-4-methanoyl-3-methyl-5-oxidanyl-phenyl] pyridine-3-carboxylate Openeye Name: [2-chloro-6-[(2E,6E)-7-(5,5-dimethyl-4-oxo-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-4-formyl-5-hydroxy-3-methyl-phenyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-chloro-6-[(2E,6E)-7-(5,5-dimethyl-4-oxo-2-oxolanyl)-3-methylocta-2,6-dienyl]-4-formyl-5-hydroxy-3-methylphenyl] ester IUPAC Name: [2-chloro-6-[(2E,6E)-7-(5,5-dimethyl-4-oxooxolan-2-yl)-3-methylocta-2,6-dienyl]-4-formyl-5-hydroxy-3-methylphenyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-chloro-4-formyl-5-hydroxy-6-[(2E,6E)-7-(4-keto-5,5-dimethyl-tetrahydrofuran-2-yl)-3-methyl-octa-2,6-dienyl]-3-methyl-phenyl] ester Formula: C29H32ClNO6 MolecularWeight: 526.02048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1Cl)OC(=O)C2=CN=CC=C2)CC=C(C)CCC=C(C)C3CC(=O)C(O3)(C)C)O)C=O

Isomeric SMILES

CC1=C(C(=C(C(=C1Cl)OC(=O)C2=CN=CC=C2)C/C=C(\C)/CC/C=C(\C)/C3CC(=O)C(O3)(C)C)O)C=O

InChI

InChI=1S/C29H32ClNO6/c1-17(8-6-9-18(2)23-14-24(33)29(4,5)37-23)11-12-21-26(34)22(16-32)19(3)25(30)27(21)36-28(35)20-10-7-13-31-15-20/h7,9-11,13,15-16,23,34H,6,8,12,14H2,1-5H3/b17-11+,18-9+