[9-(2-chlorophenyl)-10-oxidanylidene-spiro[5.5]undec-8-en-8-yl] 2-ethylhexanoate

Systemtic Name: [9-(2-chlorophenyl)-10-oxidanylidene-spiro[5.5]undec-8-en-8-yl] 2-ethylhexanoate Openeye Name: [9-(2-chlorophenyl)-10-oxo-spiro[5.5]undec-8-en-8-yl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [9-(2-chlorophenyl)-10-oxo-8-spiro[5.5]undec-8-enyl] ester IUPAC Name: [9-(2-chlorophenyl)-10-oxospiro[5.5]undec-8-en-8-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [9-(2-chlorophenyl)-10-keto-spiro[5.5]undec-8-en-8-yl] ester Formula: C25H33ClO3 MolecularWeight: 416.98072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC1=C(C(=O)CC2(C1)CCCCC2)C3=CC=CC=C3Cl

Isomeric SMILES

CCCCC(CC)C(=O)OC1=C(C(=O)CC2(C1)CCCCC2)C3=CC=CC=C3Cl

InChI

InChI=1S/C25H33ClO3/c1-3-5-11-18(4-2)24(28)29-22-17-25(14-9-6-10-15-25)16-21(27)23(22)19-12-7-8-13-20(19)26/h7-8,12-13,18H,3-6,9-11,14-17H2,1-2H3