[16-bromanyl-17-(2-dimethylaminoethyloxy)-17-oxidanylidene-heptadecyl] 4-methylbenzoate

Systemtic Name: [16-bromanyl-17-(2-dimethylaminoethyloxy)-17-oxidanylidene-heptadecyl] 4-methylbenzoate Openeye Name: [16-bromo-17-(2-dimethylaminoethyloxy)-17-oxo-heptadecyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [16-bromo-17-(2-dimethylaminoethyloxy)-17-oxoheptadecyl] ester IUPAC Name: [16-bromo-17-(2-dimethylaminoethyloxy)-17-oxoheptadecyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [16-bromo-17-(2-dimethylaminoethyloxy)-17-keto-heptadecyl] ester Formula: C29H48BrNO4 MolecularWeight: 554.59972

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OCCCCCCCCCCCCCCCC(C(=O)OCCN(C)C)Br

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OCCCCCCCCCCCCCCCC(C(=O)OCCN(C)C)Br

InChI

InChI=1S/C29H48BrNO4/c1-25-18-20-26(21-19-25)28(32)34-23-16-14-12-10-8-6-4-5-7-9-11-13-15-17-27(30)29(33)35-24-22-31(2)3/h18-21,27H,4-17,22-24H2,1-3H3