O1-(perylen-2-ylmethyl) O3-prop-2-enyl 2-prop-2-enyl-2-(pyren-2-ylmethyl)propanedioate

Systemtic Name: O1-(perylen-2-ylmethyl) O3-prop-2-enyl 2-prop-2-enyl-2-(pyren-2-ylmethyl)propanedioate Openeye Name: O1-allyl O3-(perylen-2-ylmethyl) 2-allyl-2-(pyren-2-ylmethyl)propanedioate CAS Name: 2-prop-2-enyl-2-(2-pyrenylmethyl)propanedioic acid O1-(2-perylenylmethyl) ester O3-prop-2-enyl ester IUPAC Name: 1-O-(perylen-2-ylmethyl) 3-O-prop-2-enyl 2-prop-2-enyl-2-(pyren-2-ylmethyl)propanedioate Traditional Name: 2-allyl-2-(pyren-2-ylmethyl)malonic acid O1-allyl ester O3-(perylen-2-ylmethyl) ester Formula: C47H34O4 MolecularWeight: 662.77046

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC(CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)(C(=O)OCC=C)C(=O)OCC5=CC6=C7C(=C5)C=CC=C7C8=CC=CC9=C8C6=CC=C9

Isomeric SMILES

C=CCC(CC1=CC2=C3C(=C1)C=CC4=C3C(=CC=C4)C=C2)(C(=O)OCC=C)C(=O)OCC5=CC6=C7C(=C5)C=CC=C7C8=CC=CC9=C8C6=CC=C9

InChI

InChI=1S/C47H34O4/c1-3-21-47(45(48)50-22-4-2,27-29-23-35-19-17-32-9-5-10-33-18-20-36(24-29)42(35)41(32)33)46(49)51-28-30-25-34-13-8-15-38-37-14-6-11-31-12-7-16-39(43(31)37)40(26-30)44(34)38/h3-20,23-26H,1-2,21-22,27-28H2