[5-(2-acetyloxyphenanthren-4-yl)pyren-2-yl] ethanoate

Systemtic Name: [5-(2-acetyloxyphenanthren-4-yl)pyren-2-yl] ethanoate Openeye Name: [5-(2-acetoxy-4-phenanthryl)pyren-2-yl] acetate CAS Name: acetic acid [5-(2-acetyloxy-4-phenanthrenyl)-2-pyrenyl] ester IUPAC Name: [5-(2-acetyloxyphenanthren-4-yl)pyren-2-yl] acetate Traditional Name: acetic acid [5-(2-acetoxy-4-phenanthryl)pyren-2-yl] ester Formula: C34H22O4 MolecularWeight: 494.53608

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C(=C2)C5=C6C(=CC(=C5)OC(=O)C)C=CC7=CC=CC=C76

Isomeric SMILES

CC(=O)OC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C(=C2)C5=C6C(=CC(=C5)OC(=O)C)C=CC7=CC=CC=C76

InChI

InChI=1S/C34H22O4/c1-19(35)37-26-14-23-13-11-22-7-5-9-29-30(17-25(16-26)32(23)34(22)29)31-18-27(38-20(2)36)15-24-12-10-21-6-3-4-8-28(21)33(24)31/h3-18H,1-2H3