[4-(2-dimethylaminoethylamino)-4-oxidanylidene-2-pentacosa-10,12-diynoyloxy-butyl] pentacosa-10,12-diynoate

Systemtic Name: [4-(2-dimethylaminoethylamino)-4-oxidanylidene-2-pentacosa-10,12-diynoyloxy-butyl] pentacosa-10,12-diynoate Openeye Name: [4-(2-dimethylaminoethylamino)-4-oxo-2-pentacosa-10,12-diynoyloxy-butyl] pentacosa-10,12-diynoate CAS Name: pentacosa-10,12-diynoic acid [4-(2-dimethylaminoethylamino)-4-oxo-2-(1-oxopentacosa-10,12-diynoxy)butyl] ester IUPAC Name: [4-(2-dimethylaminoethylamino)-4-oxo-2-pentacosa-10,12-diynoyloxybutyl] pentacosa-10,12-diynoate Traditional Name: pentacosa-10,12-diynoic acid [4-(2-dimethylaminoethylamino)-4-keto-2-pentacosa-10,12-diynoyloxy-butyl] ester Formula: C58H98N2O5 MolecularWeight: 903.40912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(CC(=O)NCCN(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)OCC(CC(=O)NCCN(C)C)OC(=O)CCCCCCCCC#CC#CCCCCCCCCCCCC

InChI

InChI=1S/C58H98N2O5/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-57(62)64-54-55(53-56(61)59-51-52-60(3)4)65-58(63)50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h55H,5-26,35-54H2,1-4H3,(H,59,61)