bis(diphenylmethyl) (2S,3S)-2,3-bis[[(E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoyl]oxy]butanedioate

Systemtic Name: bis(diphenylmethyl) (2S,3S)-2,3-bis[[(E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoyl]oxy]butanedioate Openeye Name: dibenzhydryl (2S,3S)-2,3-bis[[(E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoyl]oxy]butanedioate CAS Name: (2S,3S)-2,3-bis[(E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]-1-oxoprop-2-enoxy]butanedioic acid bis(diphenylmethyl) ester IUPAC Name: dibenzhydryl (2S,3S)-2,3-bis[[(E)-3-[3,4-bis(methoxycarbonyloxy)phenyl]prop-2-enoyl]oxy]butanedioate Traditional Name: (2S,3S)-2,3-bis[[(E)-3-(3,4-dicarbomethoxyoxyphenyl)acryloyl]oxy]succinic acid dibenzhydryl ester Formula: C56H46O20 MolecularWeight: 1038.95244

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)OC1=C(C=C(C=C1)C=CC(=O)OC(C(C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C=CC4=CC(=C(C=C4)OC(=O)OC)OC(=O)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)OC

Isomeric SMILES

COC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)O[C@H](C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)[C@H](OC(=O)/C=C/C4=CC(=C(C=C4)OC(=O)OC)OC(=O)OC)C(=O)OC(C5=CC=CC=C5)C6=CC=CC=C6)OC(=O)OC

InChI

InChI=1S/C56H46O20/c1-65-53(61)69-41-29-25-35(33-43(41)71-55(63)67-3)27-31-45(57)73-49(51(59)75-47(37-17-9-5-10-18-37)38-19-11-6-12-20-38)50(52(60)76-48(39-21-13-7-14-22-39)40-23-15-8-16-24-40)74-46(58)32-28-36-26-30-42(70-54(62)66-2)44(34-36)72-56(64)68-4/h5-34,47-50H,1-4H3/b31-27+,32-28+/t49-,50-/m0/s1