(Z)-5,6-bis[(3,4-dicarboxyphenyl)carbonyloxy]-2-methyl-hex-2-enoate

Systemtic Name: (Z)-5,6-bis[(3,4-dicarboxyphenyl)carbonyloxy]-2-methyl-hex-2-enoate Openeye Name: (Z)-5,6-bis[(3,4-dicarboxybenzoyl)oxy]-2-methyl-hex-2-enoate CAS Name: (Z)-5,6-bis[(3,4-dicarboxyphenyl)-oxomethoxy]-2-methyl-2-hexenoate IUPAC Name: (Z)-5,6-bis[(3,4-dicarboxybenzoyl)oxy]-2-methylhex-2-enoate Traditional Name: (Z)-5,6-bis[(3,4-dicarboxybenzoyl)oxy]-2-methyl-hex-2-enoate Formula: C50H38O28-2 MolecularWeight: 1086.81992

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(COC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)[O-].CC(=CCC(COC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)OC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)C(=O)[O-]

Isomeric SMILES

C/C(=C/CC(OC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)COC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)/C(=O)[O-].C/C(=C/CC(OC(=O)C1=CC(=C(C=C1)C(=O)O)C(=O)O)COC(=O)C2=CC(=C(C=C2)C(=O)O)C(=O)O)/C(=O)[O-]

InChI

InChI=1S/2C25H20O14/c2*1-11(19(26)27)2-5-14(39-25(37)13-4-7-16(21(30)31)18(9-13)23(34)35)10-38-24(36)12-3-6-15(20(28)29)17(8-12)22(32)33/h2*2-4,6-9,14H,5,10H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H,32,33)(H,34,35)/p-2/b2*11-2-