actinium; (E)-4-(2-heptyl-3-oxidanyl-5-phosphanyloxy-cyclopentyl)-1-[3-(methoxymethyl)phenyl]but-3-en-2-one

Systemtic Name: actinium; (E)-4-(2-heptyl-3-oxidanyl-5-phosphanyloxy-cyclopentyl)-1-[3-(methoxymethyl)phenyl]but-3-en-2-one Openeye Name: actinium; (E)-4-(2-heptyl-3-hydroxy-5-phosphanyloxy-cyclopentyl)-1-[3-(methoxymethyl)phenyl]but-3-en-2-one CAS Name: actinium; (E)-4-(2-heptyl-3-hydroxy-5-phosphinooxycyclopentyl)-1-[3-(methoxymethyl)phenyl]-3-buten-2-one IUPAC Name: actinium; (E)-4-(2-heptyl-3-hydroxy-5-phosphanyloxycyclopentyl)-1-[3-(methoxymethyl)phenyl]but-3-en-2-one Traditional Name: actinium; (E)-4-(2-heptyl-3-hydroxy-5-phosphinooxy-cyclopentyl)-1-[3-(methoxymethyl)phenyl]but-3-en-2-one Formula: C24H37AcO4P MolecularWeight: 647.549688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(CC(C1C=CC(=O)CC2=CC(=CC=C2)COC)OP)O.[Ac]

Isomeric SMILES

CCCCCCCC1C(CC(C1/C=C/C(=O)CC2=CC(=CC=C2)COC)OP)O.[Ac]

InChI

InChI=1S/C24H37O4P.Ac/c1-3-4-5-6-7-11-21-22(24(28-29)16-23(21)26)13-12-20(25)15-18-9-8-10-19(14-18)17-27-2;/h8-10,12-14,21-24,26H,3-7,11,15-17,29H2,1-2H3;/b13-12+;