2-butyl-4-chloranyl-5-methoxy-2-(3-oxidanylidenebutyl)-3H-inden-1-one

Systemtic Name: 2-butyl-4-chloranyl-5-methoxy-2-(3-oxidanylidenebutyl)-3H-inden-1-one Openeye Name: 2-butyl-4-chloro-5-methoxy-2-(3-oxobutyl)indan-1-one CAS Name: 2-butyl-4-chloro-5-methoxy-2-(3-oxobutyl)-3H-inden-1-one IUPAC Name: 2-butyl-4-chloro-5-methoxy-2-(3-oxobutyl)-3H-inden-1-one Traditional Name: 2-butyl-4-chloro-2-(3-ketobutyl)-5-methoxy-indan-1-one Formula: C18H23ClO3 MolecularWeight: 322.82642

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CC2=C(C1=O)C=CC(=C2Cl)OC)CCC(=O)C

Isomeric SMILES

CCCCC1(CC2=C(C1=O)C=CC(=C2Cl)OC)CCC(=O)C

InChI

InChI=1S/C18H23ClO3/c1-4-5-9-18(10-8-12(2)20)11-14-13(17(18)21)6-7-15(22-3)16(14)19/h6-7H,4-5,8-11H2,1-3H3