(6'-dodecanoyloxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) dodecanoate

Systemtic Name: (6'-dodecanoyloxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl) dodecanoate Openeye Name: (6'-dodecanoyloxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl) dodecanoate CAS Name: dodecanoic acid [3-oxo-6'-(1-oxododecoxy)-3'-spiro[isobenzofuran-1,9'-xanthene]yl] ester IUPAC Name: (6'-dodecanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl) dodecanoate Traditional Name: lauric acid (3-keto-6'-lauroyloxy-spiro[phthalan-1,9'-xanthene]-3'-yl) ester Formula: C44H56O7 MolecularWeight: 696.91124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CC2=C(C=C1)C3(C4=C(O2)C=C(C=C4)OC(=O)CCCCCCCCCCC)C5=CC=CC=C5C(=O)O3

InChI

InChI=1S/C44H56O7/c1-3-5-7-9-11-13-15-17-19-25-41(45)48-33-27-29-37-39(31-33)50-40-32-34(49-42(46)26-20-18-16-14-12-10-8-6-4-2)28-30-38(40)44(37)36-24-22-21-23-35(36)43(47)51-44/h21-24,27-32H,3-20,25-26H2,1-2H3