octyl 8-chloranyl-6,6-dimethyl-4-oxidanylidene-isochromeno[3,4-f]chromene-2-carboxylate

Systemtic Name: octyl 8-chloranyl-6,6-dimethyl-4-oxidanylidene-isochromeno[3,4-f]chromene-2-carboxylate Openeye Name: octyl 8-chloro-6,6-dimethyl-4-oxo-isochromeno[3,4-f]chromene-2-carboxylate CAS Name: 8-chloro-6,6-dimethyl-4-oxo-2-[2]benzopyrano[3,4-f][1]benzopyrancarboxylic acid octyl ester IUPAC Name: octyl 8-chloro-6,6-dimethyl-4-oxoisochromeno[3,4-f]chromene-2-carboxylate Traditional Name: 8-chloro-4-keto-6,6-dimethyl-isochromeno[3,4-f]chromene-2-carboxylic acid octyl ester Formula: C27H29ClO5 MolecularWeight: 468.96916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=CC(=O)C2=C(O1)C=CC3=C2OC(C4=C3C=CC(=C4)Cl)(C)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=CC(=O)C2=C(O1)C=CC3=C2OC(C4=C3C=CC(=C4)Cl)(C)C

InChI

InChI=1S/C27H29ClO5/c1-4-5-6-7-8-9-14-31-26(30)23-16-21(29)24-22(32-23)13-12-19-18-11-10-17(28)15-20(18)27(2,3)33-25(19)24/h10-13,15-16H,4-9,14H2,1-3H3