bis(6-prop-2-enoyloxyhexyl) 2,3-bis[(2,7-dibutoxyphenanthren-9-yl)methoxy]butanedioate

Systemtic Name: bis(6-prop-2-enoyloxyhexyl) 2,3-bis[(2,7-dibutoxyphenanthren-9-yl)methoxy]butanedioate Openeye Name: bis(6-prop-2-enoyloxyhexyl) 2,3-bis[(2,7-dibutoxy-9-phenanthryl)methoxy]butanedioate CAS Name: 2,3-bis[(2,7-dibutoxy-9-phenanthrenyl)methoxy]butanedioic acid bis[6-(1-oxoprop-2-enoxy)hexyl] ester IUPAC Name: bis(6-prop-2-enoyloxyhexyl) 2,3-bis[(2,7-dibutoxyphenanthren-9-yl)methoxy]butanedioate Traditional Name: 2,3-bis[(2,7-dibutoxy-9-phenanthryl)methoxy]succinic acid bis(6-acryloyloxyhexyl) ester Formula: C68H86O14 MolecularWeight: 1127.40204

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=CC(=C3C=C(C=CC3=C2C=C1)OCCCC)COC(C(C(=O)OCCCCCCOC(=O)C=C)OCC4=C5C=C(C=CC5=C6C=CC(=CC6=C4)OCCCC)OCCCC)C(=O)OCCCCCCOC(=O)C=C

Isomeric SMILES

CCCCOC1=CC2=CC(=C3C=C(C=CC3=C2C=C1)OCCCC)COC(C(C(=O)OCCCCCCOC(=O)C=C)OCC4=C5C=C(C=CC5=C6C=CC(=CC6=C4)OCCCC)OCCCC)C(=O)OCCCCCCOC(=O)C=C

InChI

InChI=1S/C68H86O14/c1-7-13-33-73-53-25-29-57-49(43-53)41-51(61-45-55(27-31-59(57)61)75-35-15-9-3)47-81-65(67(71)79-39-23-19-17-21-37-77-63(69)11-5)66(68(72)80-40-24-20-18-22-38-78-64(70)12-6)82-48-52-42-50-44-54(74-34-14-8-2)26-30-58(50)60-32-28-56(46-62(52)60)76-36-16-10-4/h11-12,25-32,41-46,65-66H,5-10,13-24,33-40,47-48H2,1-4H3