[[3-[acetyloxy(phenanthren-9-yl)methyl]naphthalen-2-yl]-phenanthren-9-yl-methyl] ethanoate

Systemtic Name: [[3-[acetyloxy(phenanthren-9-yl)methyl]naphthalen-2-yl]-phenanthren-9-yl-methyl] ethanoate Openeye Name: [[3-[acetoxy(9-phenanthryl)methyl]-2-naphthyl]-(9-phenanthryl)methyl] acetate CAS Name: acetic acid [[3-[acetyloxy(9-phenanthrenyl)methyl]-2-naphthalenyl]-(9-phenanthrenyl)methyl] ester IUPAC Name: [[3-[acetyloxy(phenanthren-9-yl)methyl]naphthalen-2-yl]-phenanthren-9-ylmethyl] acetate Traditional Name: acetic acid [[3-[acetoxy(9-phenanthryl)methyl]-2-naphthyl]-(9-phenanthryl)methyl] ester Formula: C44H32O4 MolecularWeight: 624.72248

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC2=CC=CC=C2C3=CC=CC=C31)C4=CC5=CC=CC=C5C=C4C(C6=CC7=CC=CC=C7C8=CC=CC=C86)OC(=O)C

Isomeric SMILES

CC(=O)OC(C1=CC2=CC=CC=C2C3=CC=CC=C31)C4=CC5=CC=CC=C5C=C4C(C6=CC7=CC=CC=C7C8=CC=CC=C86)OC(=O)C

InChI

InChI=1S/C44H32O4/c1-27(45)47-43(39-25-31-15-5-7-17-33(31)35-19-9-11-21-37(35)39)41-23-29-13-3-4-14-30(29)24-42(41)44(48-28(2)46)40-26-32-16-6-8-18-34(32)36-20-10-12-22-38(36)40/h3-26,43-44H,1-2H3