[11-acetyloxy-8,9-didodecoxy-1,4,13,16-tetrakis(oxidanylidene)hexahelicen-6-yl] ethanoate

Systemtic Name: [11-acetyloxy-8,9-didodecoxy-1,4,13,16-tetrakis(oxidanylidene)hexahelicen-6-yl] ethanoate Openeye Name: (11-acetoxy-8,9-didodecoxy-1,4,13,16-tetraoxo-hexahelicen-6-yl) acetate CAS Name: acetic acid (11-acetyloxy-8,9-didodecoxy-1,4,13,16-tetraoxo-6-hexahelicenyl) ester IUPAC Name: (11-acetyloxy-8,9-didodecoxy-1,4,13,16-tetraoxohexahelicen-6-yl) acetate Traditional Name: acetic acid (11-acetoxy-1,4,13,16-tetraketo-8,9-dilauryloxy-hexahelicen-6-yl) ester Formula: C54H64O10 MolecularWeight: 873.07996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2C4=C1C(=CC5=C(C=C6C(=O)C=CC(=O)C6=C54)OC(=O)C)OCCCCCCCCCCCC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCOC1=CC2=C(C=C3C(=O)C=CC(=O)C3=C2C4=C1C(=CC5=C(C=C6C(=O)C=CC(=O)C6=C54)OC(=O)C)OCCCCCCCCCCCC)OC(=O)C

InChI

InChI=1S/C54H64O10/c1-5-7-9-11-13-15-17-19-21-23-29-61-47-33-39-45(63-35(3)55)31-37-41(57)25-27-43(59)49(37)51(39)54-52-40(46(64-36(4)56)32-38-42(58)26-28-44(60)50(38)52)34-48(53(47)54)62-30-24-22-20-18-16-14-12-10-8-6-2/h25-28,31-34H,5-24,29-30H2,1-4H3