6-[3,3-dimethyl-2-[(E)-2-phenylazanylethenyl]-5-sulfo-2H-indol-1-yl]hexanoic acid

Systemtic Name: 6-[3,3-dimethyl-2-[(E)-2-phenylazanylethenyl]-5-sulfo-2H-indol-1-yl]hexanoic acid Openeye Name: 6-[2-[(E)-2-anilinovinyl]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid CAS Name: 6-[2-[(E)-2-anilinoethenyl]-3,3-dimethyl-5-sulfo-2H-indol-1-yl]hexanoic acid IUPAC Name: 6-[2-[(E)-2-anilinoethenyl]-3,3-dimethyl-5-sulfo-2H-indol-1-yl]hexanoic acid Traditional Name: 6-[2-[(E)-2-anilinovinyl]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid Formula: C24H30N2O5S MolecularWeight: 458.5704

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CCCCCC(=O)O)C=CNC3=CC=CC=C3)C

Isomeric SMILES

CC1(C(N(C2=C1C=C(C=C2)S(=O)(=O)O)CCCCCC(=O)O)/C=C/NC3=CC=CC=C3)C

InChI

InChI=1S/C24H30N2O5S/c1-24(2)20-17-19(32(29,30)31)12-13-21(20)26(16-8-4-7-11-23(27)28)22(24)14-15-25-18-9-5-3-6-10-18/h3,5-6,9-10,12-15,17,22,25H,4,7-8,11,16H2,1-2H3,(H,27,28)(H,29,30,31)/b15-14+