3-[2,3,3-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-5-yl]propanoic acid

Systemtic Name: 3-[2,3,3-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-5-yl]propanoic acid Openeye Name: 3-[2,3,3-trimethyl-1-[(E)-4-sulfobut-1-enyl]indolin-5-yl]propanoic acid CAS Name: 3-[2,3,3-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-5-yl]propanoic acid IUPAC Name: 3-[2,3,3-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-5-yl]propanoic acid Traditional Name: 3-[2,3,3-trimethyl-1-[(E)-4-sulfobut-1-enyl]indolin-5-yl]propionic acid Formula: C18H25NO5S MolecularWeight: 367.4598

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=C(N1C=CCCS(=O)(=O)O)C=CC(=C2)CCC(=O)O)(C)C

Isomeric SMILES

CC1C(C2=C(N1/C=C/CCS(=O)(=O)O)C=CC(=C2)CCC(=O)O)(C)C

InChI

InChI=1S/C18H25NO5S/c1-13-18(2,3)15-12-14(7-9-17(20)21)6-8-16(15)19(13)10-4-5-11-25(22,23)24/h4,6,8,10,12-13H,5,7,9,11H2,1-3H3,(H,20,21)(H,22,23,24)/b10-4+