calcium 4-[[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxidanylidene-butanoate

Systemtic Name: calcium 4-[[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxidanylidene-butanoate Openeye Name: calcium 4-[2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxy-4-oxo-butanoate CAS Name: calcium 4-[[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy]-4-oxobutanoate IUPAC Name: calcium 4-[[2-methyl-2-(4,8,12-trimethyltridecyl)-3,4-dihydrochromen-6-yl]oxy]-4-oxobutanoate Traditional Name: calcium 4-keto-4-[2-methyl-2-(4,8,12-trimethyltridecyl)chroman-6-yl]oxy-butyrate Formula: C60H94CaO10 MolecularWeight: 1015.46036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)CCC(=O)[O-])C.CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)CCC(=O)[O-])C.[Ca+2]

Isomeric SMILES

CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)CCC(=O)[O-])C.CC(C)CCCC(C)CCCC(C)CCCC1(CCC2=C(O1)C=CC(=C2)OC(=O)CCC(=O)[O-])C.[Ca+2]

InChI

InChI=1S/2C30H48O5.Ca/c2*1-22(2)9-6-10-23(3)11-7-12-24(4)13-8-19-30(5)20-18-25-21-26(14-15-27(25)35-30)34-29(33)17-16-28(31)32;/h2*14-15,21-24H,6-13,16-20H2,1-5H3,(H,31,32);/q;;+2/p-2