(E)-but-2-enedioic acid; 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]benzaldehyde

Systemtic Name: (E)-but-2-enedioic acid; 3-[3-(tert-butylamino)-2-oxidanyl-propoxy]benzaldehyde Openeye Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzaldehyde; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-[3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde IUPAC Name: (E)-but-2-enedioic acid; 3-[3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde Traditional Name: 3-[3-(tert-butylamino)-2-hydroxy-propoxy]benzaldehyde; fumaric acid Formula: C32H46N2O10 MolecularWeight: 618.71504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C14H21NO3.C4H4O4/c2*1-14(2,3)15-8-12(17)10-18-13-6-4-5-11(7-13)9-16;5-3(6)1-2-4(7)8/h2*4-7,9,12,15,17H,8,10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+