2-azanyl-4-[5-[(E)-6-cyclohexylhex-1-enyl]thiophen-2-yl]-2-methyl-butan-1-ol; (E)-but-2-enedioic acid

Systemtic Name: 2-azanyl-4-[5-[(E)-6-cyclohexylhex-1-enyl]thiophen-2-yl]-2-methyl-butan-1-ol; (E)-but-2-enedioic acid Openeye Name: 2-amino-4-[5-[(E)-6-cyclohexylhex-1-enyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid CAS Name: 2-amino-4-[5-[(E)-6-cyclohexylhex-1-enyl]-2-thiophenyl]-2-methyl-1-butanol; (E)-2-butenedioic acid IUPAC Name: 2-amino-4-[5-[(E)-6-cyclohexylhex-1-enyl]thiophen-2-yl]-2-methylbutan-1-ol; (E)-but-2-enedioic acid Traditional Name: 2-amino-4-[5-[(E)-6-cyclohexylhex-1-enyl]-2-thienyl]-2-methyl-butan-1-ol; fumaric acid Formula: C25H39NO5S MolecularWeight: 465.64586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C=CCCCCC2CCCCC2)(CO)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(CCC1=CC=C(S1)/C=C/CCCCC2CCCCC2)(CO)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H35NOS.C4H4O4/c1-21(22,17-23)16-15-20-14-13-19(24-20)12-8-3-2-5-9-18-10-6-4-7-11-18;5-3(6)1-2-4(7)8/h8,12-14,18,23H,2-7,9-11,15-17,22H2,1H3;1-2H,(H,5,6)(H,7,8)/b12-8+;2-1+