[3-(2-fluorophenyl)-3-(3-methoxythiophen-2-yl)-7-pentyl-benzo[f]chromen-8-yl] benzoate

Systemtic Name: [3-(2-fluorophenyl)-3-(3-methoxythiophen-2-yl)-7-pentyl-benzo[f]chromen-8-yl] benzoate Openeye Name: [3-(2-fluorophenyl)-3-(3-methoxy-2-thienyl)-7-pentyl-benzo[f]chromen-8-yl] benzoate CAS Name: benzoic acid [3-(2-fluorophenyl)-3-(3-methoxy-2-thiophenyl)-7-pentyl-8-benzo[f][1]benzopyranyl] ester IUPAC Name: [3-(2-fluorophenyl)-3-(3-methoxythiophen-2-yl)-7-pentylbenzo[f]chromen-8-yl] benzoate Traditional Name: benzoic acid [7-amyl-3-(2-fluorophenyl)-3-(3-methoxy-2-thienyl)benzo[f]chromen-8-yl] ester Formula: C36H31FO4S MolecularWeight: 578.692343

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=CC2=C1C=CC3=C2C=CC(O3)(C4=CC=CC=C4F)C5=C(C=CS5)OC)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CCCCCC1=C(C=CC2=C1C=CC3=C2C=CC(O3)(C4=CC=CC=C4F)C5=C(C=CS5)OC)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C36H31FO4S/c1-3-4-6-13-27-25-17-19-32-28(26(25)16-18-31(27)40-35(38)24-11-7-5-8-12-24)20-22-36(41-32,29-14-9-10-15-30(29)37)34-33(39-2)21-23-42-34/h5,7-12,14-23H,3-4,6,13H2,1-2H3