[3,4-di(dodecanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dodecanoate

Systemtic Name: [3,4-di(dodecanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dodecanoate Openeye Name: [3,4-di(dodecanoyloxy)-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl dodecanoate CAS Name: dodecanoic acid [3,4-bis(1-oxododecoxy)-5-(6-sulfanylidene-3H-purin-9-yl)-2-oxolanyl]methyl ester IUPAC Name: [3,4-di(dodecanoyloxy)-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dodecanoate Traditional Name: lauric acid [3,4-dilauroyloxy-5-(6-thioxo-3H-purin-9-yl)tetrahydrofuran-2-yl]methyl ester Formula: C46H78N4O7S MolecularWeight: 831.19912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OCC1C(C(C(O1)N2C=NC3=C2NC=NC3=S)OC(=O)CCCCCCCCCCC)OC(=O)CCCCCCCCCCC

InChI

InChI=1S/C46H78N4O7S/c1-4-7-10-13-16-19-22-25-28-31-38(51)54-34-37-42(56-39(52)32-29-26-23-20-17-14-11-8-5-2)43(57-40(53)33-30-27-24-21-18-15-12-9-6-3)46(55-37)50-36-49-41-44(50)47-35-48-45(41)58/h35-37,42-43,46H,4-34H2,1-3H3,(H,47,48,58)