(E)-but-2-enedioic acid; N-[1-(phenylsulfinyl)propan-2-yl]octan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N-[1-(phenylsulfinyl)propan-2-yl]octan-1-amine Openeye Name: N-[2-(benzenesulfinyl)-1-methyl-ethyl]octan-1-amine; fumaric acid CAS Name: N-[1-(benzenesulfinyl)propan-2-yl]-1-octanamine; (E)-2-butenedioic acid IUPAC Name: N-[1-(benzenesulfinyl)propan-2-yl]octan-1-amine; (E)-but-2-enedioic acid Traditional Name: [2-(benzenesulfinyl)-1-methyl-ethyl]-octyl-amine; fumaric acid Formula: C38H62N2O6S2 MolecularWeight: 707.03868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(C)CS(=O)C1=CC=CC=C1.CCCCCCCCNC(C)CS(=O)C1=CC=CC=C1.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCNC(C)CS(=O)C1=CC=CC=C1.CCCCCCCCNC(C)CS(=O)C1=CC=CC=C1.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/2C17H29NOS.C4H4O4/c2*1-3-4-5-6-7-11-14-18-16(2)15-20(19)17-12-9-8-10-13-17;5-3(6)1-2-4(7)8/h2*8-10,12-13,16,18H,3-7,11,14-15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+