[2,2-bis(hydroxymethyl)-3-prop-2-enoxy-3-prop-2-enyl-hex-5-enyl] 3,5-bis(azanyl)benzoate

Systemtic Name: [2,2-bis(hydroxymethyl)-3-prop-2-enoxy-3-prop-2-enyl-hex-5-enyl] 3,5-bis(azanyl)benzoate Openeye Name: [3-allyl-3-allyloxy-2,2-bis(hydroxymethyl)hex-5-enyl] 3,5-diaminobenzoate CAS Name: 3,5-diaminobenzoic acid [2,2-bis(hydroxymethyl)-3-prop-2-enoxy-3-prop-2-enylhex-5-enyl] ester IUPAC Name: [2,2-bis(hydroxymethyl)-3-prop-2-enoxy-3-prop-2-enylhex-5-enyl] 3,5-diaminobenzoate Traditional Name: 3,5-diaminobenzoic acid (3-allyl-3-allyloxy-2,2-dimethylol-hex-5-enyl) ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O5/c1-4-7-21(8-5-2,28-9-6-3)20(13-24,14-25)15-27-19(26)16-10-17(22)12-18(23)11-16/h4-6,10-12,24-25H,1-3,7-9,13-15,22-23H2