calcium (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoate

Systemtic Name: calcium (3S)-4-methoxy-4-oxidanylidene-3-(phenylmethyl)butanoate Openeye Name: calcium (3S)-3-benzyl-4-methoxy-4-oxo-butanoate CAS Name: calcium (3S)-4-methoxy-4-oxo-3-(phenylmethyl)butanoate IUPAC Name: calcium (3S)-3-benzyl-4-methoxy-4-oxobutanoate Traditional Name: calcium (3S)-3-benzyl-4-keto-4-methoxy-butyrate Formula: C24H26CaO8 MolecularWeight: 482.53644

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)CC(=O)[O-].COC(=O)C(CC1=CC=CC=C1)CC(=O)[O-].[Ca+2]

Isomeric SMILES

COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)[O-].COC(=O)[C@@H](CC1=CC=CC=C1)CC(=O)[O-].[Ca+2]

InChI

InChI=1S/2C12H14O4.Ca/c2*1-16-12(15)10(8-11(13)14)7-9-5-3-2-4-6-9;/h2*2-6,10H,7-8H2,1H3,(H,13,14);/q;;+2/p-2/t2*10-;/m00./s1