(Z)-5-(2,3-dimethyl-5-sulfo-indol-3-yl)pent-4-enoic acid

Systemtic Name: (Z)-5-(2,3-dimethyl-5-sulfo-indol-3-yl)pent-4-enoic acid Openeye Name: (Z)-5-(2,3-dimethyl-5-sulfo-indol-3-yl)pent-4-enoic acid CAS Name: (Z)-5-(2,3-dimethyl-5-sulfo-3-indolyl)-4-pentenoic acid IUPAC Name: (Z)-5-(2,3-dimethyl-5-sulfoindol-3-yl)pent-4-enoic acid Traditional Name: (Z)-5-(2,3-dimethyl-5-sulfo-indol-3-yl)pent-4-enoic acid Formula: C15H17NO5S MolecularWeight: 323.36418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C1(C)C=CCCC(=O)O)C=C(C=C2)S(=O)(=O)O

Isomeric SMILES

CC1=NC2=C(C1(C)/C=C\CCC(=O)O)C=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C15H17NO5S/c1-10-15(2,8-4-3-5-14(17)18)12-9-11(22(19,20)21)6-7-13(12)16-10/h4,6-9H,3,5H2,1-2H3,(H,17,18)(H,19,20,21)/b8-4-