[7-benzamido-3-methoxy-9-oxidanylidene-1,2-bis(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] benzoate

Systemtic Name: [7-benzamido-3-methoxy-9-oxidanylidene-1,2-bis(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] benzoate Openeye Name: [7-benzamido-3-methoxy-9-oxo-1,2-bis(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] benzoate CAS Name: benzoic acid [7-benzamido-3-methoxy-9-oxo-1,2-bis(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] ester IUPAC Name: [7-benzamido-3-methoxy-9-oxo-1,2-bis(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] benzoate Traditional Name: benzoic acid [7-benzamido-9-keto-3-methoxy-1,2-bis(tritiomethoxy)-6,7-dihydro-5H-benzo[a]heptalen-10-yl] ester Formula: C33H29NO7 MolecularWeight: 557.594621

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)OC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)OC)OC

Isomeric SMILES

[3H]COC1=C(C=C2C[14CH2]C(C3=CC(=O)C(=CC=C3C2=C1OC[3H])OC(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)OC

InChI

InChI=1S/C33H29NO7/c1-38-28-18-22-14-16-25(34-32(36)20-10-6-4-7-11-20)24-19-26(35)27(41-33(37)21-12-8-5-9-13-21)17-15-23(24)29(22)31(40-3)30(28)39-2/h4-13,15,17-19,25H,14,16H2,1-3H3,(H,34,36)/i2T,3T,16+2