3-azanyl-5-[2-[(3-azanyl-5-carboxy-phenyl)carbonyloxymethyl]-2-(hydroxymethyl)-3-prop-2-enoyloxy-propoxy]carbonyl-benzoic acid

Systemtic Name: 3-azanyl-5-[2-[(3-azanyl-5-carboxy-phenyl)carbonyloxymethyl]-2-(hydroxymethyl)-3-prop-2-enoyloxy-propoxy]carbonyl-benzoic acid Openeye Name: 3-amino-5-[2-[(3-amino-5-carboxy-benzoyl)oxymethyl]-2-(hydroxymethyl)-3-prop-2-enoyloxy-propoxy]carbonyl-benzoic acid CAS Name: 3-amino-5-[[2-[[(3-amino-5-carboxyphenyl)-oxomethoxy]methyl]-2-(hydroxymethyl)-3-(1-oxoprop-2-enoxy)propoxy]-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-[2-[(3-amino-5-carboxybenzoyl)oxymethyl]-2-(hydroxymethyl)-3-prop-2-enoyloxypropoxy]carbonylbenzoic acid Traditional Name: 3-[2-(acryloyloxymethyl)-2-[(3-amino-5-carboxy-benzoyl)oxymethyl]-3-hydroxy-propoxy]carbonyl-5-amino-benzoic acid Formula: C24H24N2O11 MolecularWeight: 516.45416

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)OCC(CO)(COC(=O)C1=CC(=CC(=C1)C(=O)O)N)COC(=O)C2=CC(=CC(=C2)C(=O)O)N

Isomeric SMILES

C=CC(=O)OCC(CO)(COC(=O)C1=CC(=CC(=C1)C(=O)O)N)COC(=O)C2=CC(=CC(=C2)C(=O)O)N

InChI

InChI=1S/C24H24N2O11/c1-2-19(28)35-10-24(9-27,11-36-22(33)15-3-13(20(29)30)5-17(25)7-15)12-37-23(34)16-4-14(21(31)32)6-18(26)8-16/h2-8,27H,1,9-12,25-26H2,(H,29,30)(H,31,32)