(E)-but-2-enedioic acid; 3-(dipropylamino)-7-propyl-3,4-dihydro-2H-thiochromen-8-ol

Systemtic Name: (E)-but-2-enedioic acid; 3-(dipropylamino)-7-propyl-3,4-dihydro-2H-thiochromen-8-ol Openeye Name: 3-(dipropylamino)-7-propyl-thiochroman-8-ol; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(dipropylamino)-7-propyl-3,4-dihydro-2H-1-benzothiopyran-8-ol IUPAC Name: (E)-but-2-enedioic acid; 3-(dipropylamino)-7-propyl-3,4-dihydro-2H-thiochromen-8-ol Traditional Name: 3-(dipropylamino)-7-propyl-thiochroman-8-ol; fumaric acid Formula: C22H33NO5S MolecularWeight: 423.56612

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C2=C(CC(CS2)N(CCC)CCC)C=C1)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C2=C(CC(CS2)N(CCC)CCC)C=C1)O.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C18H29NOS.C4H4O4/c1-4-7-14-8-9-15-12-16(13-21-18(15)17(14)20)19(10-5-2)11-6-3;5-3(6)1-2-4(7)8/h8-9,16,20H,4-7,10-13H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+