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

Systemtic Name: 5-[2,3-dimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid Openeye Name: 5-[2,3-dimethyl-1-[(E)-4-sulfobut-1-enyl]indolin-3-yl]pentanoic acid CAS Name: 5-[2,3-dimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid IUPAC Name: 5-[2,3-dimethyl-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid Traditional Name: 5-[2,3-dimethyl-1-[(E)-4-sulfobut-1-enyl]indolin-3-yl]valeric acid Formula: C19H27NO5S MolecularWeight: 381.48638

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C2=CC=CC=C2N1C=CCCS(=O)(=O)O)(C)CCCCC(=O)O

Isomeric SMILES

CC1C(C2=CC=CC=C2N1/C=C/CCS(=O)(=O)O)(C)CCCCC(=O)O

InChI

InChI=1S/C19H27NO5S/c1-15-19(2,12-6-5-11-18(21)22)16-9-3-4-10-17(16)20(15)13-7-8-14-26(23,24)25/h3-4,7,9-10,13,15H,5-6,8,11-12,14H2,1-2H3,(H,21,22)(H,23,24,25)/b13-7+