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

Systemtic Name: [4-(dodecanoylamino)-6'-dodecanoyloxy-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] dodecanoate Openeye Name: [4-(dodecanoylamino)-6'-dodecanoyloxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] dodecanoate CAS Name: dodecanoic acid [3-oxo-6'-(1-oxododecoxy)-4-(1-oxododecylamino)-3'-spiro[isobenzofuran-1,9'-xanthene]yl] ester IUPAC Name: [4-(dodecanoylamino)-6'-dodecanoyloxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] dodecanoate Traditional Name: lauric acid [3-keto-4-(lauroylamino)-6'-lauroyloxy-spiro[phthalan-1,9'-xanthene]-3'-yl] ester Formula: C56H79NO8 MolecularWeight: 894.22836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)OC(=O)CCCCCCCCCCC)OC5=C3C=CC(=C5)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)NC1=CC=CC2=C1C(=O)OC23C4=C(C=C(C=C4)OC(=O)CCCCCCCCCCC)OC5=C3C=CC(=C5)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C56H79NO8/c1-4-7-10-13-16-19-22-25-28-34-51(58)57-48-33-31-32-47-54(48)55(61)65-56(47)45-39-37-43(62-52(59)35-29-26-23-20-17-14-11-8-5-2)41-49(45)64-50-42-44(38-40-46(50)56)63-53(60)36-30-27-24-21-18-15-12-9-6-3/h31-33,37-42H,4-30,34-36H2,1-3H3,(H,57,58)