(E)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 3-[2-oxidanyl-3-(propan-2-ylamino)propoxy]benzaldehyde Openeye Name: fumaric acid; 3-[2-hydroxy-3-(isopropylamino)propoxy]benzaldehyde CAS Name: (E)-2-butenedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde IUPAC Name: (E)-but-2-enedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde Traditional Name: fumaric acid; 3-[2-hydroxy-3-(isopropylamino)propoxy]benzaldehyde Formula: C30H42N2O10 MolecularWeight: 590.66188

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=CC(=C1)C=O)O.CC(C)NCC(COC1=CC=CC(=C1)C=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C)NCC(COC1=CC=CC(=C1)C=O)O.CC(C)NCC(COC1=CC=CC(=C1)C=O)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C13H19NO3.C4H4O4/c2*1-10(2)14-7-12(16)9-17-13-5-3-4-11(6-13)8-15;5-3(6)1-2-4(7)8/h2*3-6,8,10,12,14,16H,7,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+