(12-acetyloxy-2-octadecoxy-tetracen-5-yl) ethanoate

Systemtic Name: (12-acetyloxy-2-octadecoxy-tetracen-5-yl) ethanoate Openeye Name: (12-acetoxy-2-octadecoxy-tetracen-5-yl) acetate CAS Name: acetic acid (12-acetyloxy-2-octadecoxy-5-tetracenyl) ester IUPAC Name: (12-acetyloxy-2-octadecoxytetracen-5-yl) acetate Traditional Name: acetic acid (12-acetoxy-2-stearyloxy-tetracen-5-yl) ester Formula: C40H52O5 MolecularWeight: 612.83788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC2=C(C3=CC4=CC=CC=C4C=C3C(=C2C=C1)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC2=C(C3=CC4=CC=CC=C4C=C3C(=C2C=C1)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H52O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-43-34-24-25-35-38(29-34)40(45-31(3)42)37-28-33-23-20-19-22-32(33)27-36(37)39(35)44-30(2)41/h19-20,22-25,27-29H,4-18,21,26H2,1-3H3