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

Systemtic Name: 5-[2,3,5-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid Openeye Name: 5-[2,3,5-trimethyl-1-[(E)-4-sulfobut-1-enyl]indolin-3-yl]pentanoic acid CAS Name: 5-[2,3,5-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid IUPAC Name: 5-[2,3,5-trimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid Traditional Name: 5-[2,3,5-trimethyl-1-[(E)-4-sulfobut-1-enyl]indolin-3-yl]valeric acid Formula: C20H29NO5S MolecularWeight: 395.51296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO5S/c1-15-9-10-18-17(14-15)20(3,11-5-4-8-19(22)23)16(2)21(18)12-6-7-13-27(24,25)26/h6,9-10,12,14,16H,4-5,7-8,11,13H2,1-3H3,(H,22,23)(H,24,25,26)/b12-6+