(Z)-but-2-enedioic acid; 4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanyl-phenol

Systemtic Name: (Z)-but-2-enedioic acid; 4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanyl-phenol Openeye Name: maleic acid; 4-methoxy-2-[2-methyl-1-(methylaminomethyl)propyl]-5-pentylsulfanyl-phenol CAS Name: (Z)-2-butenedioic acid; 4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-(pentylthio)phenol IUPAC Name: (Z)-but-2-enedioic acid; 4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanylphenol Traditional Name: 5-(amylthio)-4-methoxy-2-[2-methyl-1-(methylaminomethyl)propyl]phenol; maleic acid Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=C(C=C(C(=C1)O)C(CNC)C(C)C)OC.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCSC1=C(C=C(C(=C1)O)C(CNC)C(C)C)OC.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C18H31NO2S.C4H4O4/c1-6-7-8-9-22-18-11-16(20)14(10-17(18)21-5)15(12-19-4)13(2)3;5-3(6)1-2-4(7)8/h10-11,13,15,19-20H,6-9,12H2,1-5H3;1-2H,(H,5,6)(H,7,8)/b;2-1-