[7-acetamido-3,10-dimethoxy-9-oxidanylidene-2-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ethanoate

Systemtic Name: [7-acetamido-3,10-dimethoxy-9-oxidanylidene-2-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ethanoate Openeye Name: [7-acetamido-3,10-dimethoxy-9-oxo-2-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-1-yl] acetate CAS Name: acetic acid [7-acetamido-3,10-dimethoxy-9-oxo-2-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ester IUPAC Name: [7-acetamido-3,10-dimethoxy-9-oxo-2-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-1-yl] acetate Traditional Name: acetic acid [7-acetamido-9-keto-3,10-dimethoxy-2-(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-1-yl] ester Formula: C23H25NO7 MolecularWeight: 431.447751

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC(=O)C)OC)OC

Isomeric SMILES

[3H]COC1=C(C=C2C[14CH2]C(C3=CC(=O)C(=CC=C3C2=C1OC(=O)C)OC)NC(=O)C)OC

InChI

InChI=1S/C23H25NO7/c1-12(25)24-17-8-6-14-10-20(29-4)22(30-5)23(31-13(2)26)21(14)15-7-9-19(28-3)18(27)11-16(15)17/h7,9-11,17H,6,8H2,1-5H3,(H,24,25)/i5T,8+2