(4,4-dimethyl-7-tetradecan-2-yl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 8-thiomorpholin-4-yloctanoate

Systemtic Name: (4,4-dimethyl-7-tetradecan-2-yl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 8-thiomorpholin-4-yloctanoate Openeye Name: [4,4-dimethyl-7-(1-methyltridecyl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 8-thiomorpholinooctanoate CAS Name: 8-thiomorpholin-4-yloctanoic acid (4,4-dimethyl-7-tetradecan-2-yl-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester IUPAC Name: (4,4-dimethyl-7-tetradecan-2-yl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 8-thiomorpholin-4-yloctanoate Traditional Name: 8-thiomorpholinocaprylic acid [4,4-dimethyl-7-(1-methyltridecyl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] ester Formula: C40H65NO3S MolecularWeight: 640.014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)C1=CC2=C(C3=C(CCC3)C(O2)(C)C)C(=C1)OC(=O)CCCCCCCN4CCSCC4

Isomeric SMILES

CCCCCCCCCCCCC(C)C1=CC2=C(C3=C(CCC3)C(O2)(C)C)C(=C1)OC(=O)CCCCCCCN4CCSCC4

InChI

InChI=1S/C40H65NO3S/c1-5-6-7-8-9-10-11-12-14-17-21-32(2)33-30-36(39-34-22-20-23-35(34)40(3,4)44-37(39)31-33)43-38(42)24-18-15-13-16-19-25-41-26-28-45-29-27-41/h30-32H,5-29H2,1-4H3