[2,2-bis(hydroxymethyl)-4-oxidanylidene-3-prop-2-enoyl-3-prop-2-enoyloxy-hex-5-enyl] 4-azanylbenzoate

Systemtic Name: [2,2-bis(hydroxymethyl)-4-oxidanylidene-3-prop-2-enoyl-3-prop-2-enoyloxy-hex-5-enyl] 4-azanylbenzoate Openeye Name: [2,2-bis(hydroxymethyl)-4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxy-hex-5-enyl] 4-aminobenzoate CAS Name: 4-aminobenzoic acid [2,2-bis(hydroxymethyl)-4-oxo-3-(1-oxoprop-2-enoxy)-3-(1-oxoprop-2-enyl)hex-5-enyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-4-oxo-3-prop-2-enoyl-3-prop-2-enoyloxyhex-5-enyl] 4-aminobenzoate Traditional Name: 4-aminobenzoic acid (3-acryloyl-3-acryloyloxy-4-keto-2,2-dimethylol-hex-5-enyl) ester Formula: C21H23NO8 MolecularWeight: 417.40922

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(=O)C(C(=O)C=C)(C(CO)(CO)COC(=O)C1=CC=C(C=C1)N)OC(=O)C=C

Isomeric SMILES

C=CC(=O)C(C(=O)C=C)(C(CO)(CO)COC(=O)C1=CC=C(C=C1)N)OC(=O)C=C

InChI

InChI=1S/C21H23NO8/c1-4-16(25)21(17(26)5-2,30-18(27)6-3)20(11-23,12-24)13-29-19(28)14-7-9-15(22)10-8-14/h4-10,23-24H,1-3,11-13,22H2