(2,3,6-triethoxy-4-hexanoyloxy-naphthalen-1-yl) 3-bromanylbenzoate

Systemtic Name: (2,3,6-triethoxy-4-hexanoyloxy-naphthalen-1-yl) 3-bromanylbenzoate Openeye Name: (2,3,6-triethoxy-4-hexanoyloxy-1-naphthyl) 3-bromobenzoate CAS Name: 3-bromobenzoic acid [2,3,6-triethoxy-4-(1-oxohexoxy)-1-naphthalenyl] ester IUPAC Name: (2,3,6-triethoxy-4-hexanoyloxynaphthalen-1-yl) 3-bromobenzoate Traditional Name: 3-bromobenzoic acid (4-caproyloxy-2,3,6-triethoxy-1-naphthyl) ester Formula: C29H33BrO7 MolecularWeight: 573.47212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC1=C(C(=C(C2=C1C=C(C=C2)OCC)OC(=O)C3=CC(=CC=C3)Br)OCC)OCC

Isomeric SMILES

CCCCCC(=O)OC1=C(C(=C(C2=C1C=C(C=C2)OCC)OC(=O)C3=CC(=CC=C3)Br)OCC)OCC

InChI

InChI=1S/C29H33BrO7/c1-5-9-10-14-24(31)36-26-23-18-21(33-6-2)15-16-22(23)25(27(34-7-3)28(26)35-8-4)37-29(32)19-12-11-13-20(30)17-19/h11-13,15-18H,5-10,14H2,1-4H3