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

Systemtic Name: 5-[2,3-dimethyl-5-sulfo-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid Openeye Name: 5-[2,3-dimethyl-5-sulfo-1-[(E)-4-sulfobut-1-enyl]indolin-3-yl]pentanoic acid CAS Name: 5-[2,3-dimethyl-5-sulfo-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid IUPAC Name: 5-[2,3-dimethyl-5-sulfo-1-[(E)-4-sulfobut-1-enyl]-2H-indol-3-yl]pentanoic acid Traditional Name: 5-[2,3-dimethyl-5-sulfo-1-[(E)-4-sulfobut-1-enyl]indolin-3-yl]valeric acid Formula: C19H27NO8S2 MolecularWeight: 461.54958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27NO8S2/c1-14-19(2,10-4-3-7-18(21)22)16-13-15(30(26,27)28)8-9-17(16)20(14)11-5-6-12-29(23,24)25/h5,8-9,11,13-14H,3-4,6-7,10,12H2,1-2H3,(H,21,22)(H,23,24,25)(H,26,27,28)/b11-5+