6-[3,3-dimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-5-sulfo-2H-indol-1-yl]hexanoic acid

Systemtic Name: 6-[3,3-dimethyl-2-[(1E,3E)-4-phenylazanylbuta-1,3-dienyl]-5-sulfo-2H-indol-1-yl]hexanoic acid Openeye Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid CAS Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-sulfo-2H-indol-1-yl]hexanoic acid IUPAC Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-sulfo-2H-indol-1-yl]hexanoic acid Traditional Name: 6-[2-[(1E,3E)-4-anilinobuta-1,3-dienyl]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid Formula: C26H32N2O5S MolecularWeight: 484.60768

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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=CC=CNC3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C26H32N2O5S/c1-26(2)22-19-21(34(31,32)33)15-16-23(22)28(18-10-4-7-14-25(29)30)24(26)13-8-9-17-27-20-11-5-3-6-12-20/h3,5-6,8-9,11-13,15-17,19,24,27H,4,7,10,14,18H2,1-2H3,(H,29,30)(H,31,32,33)/b13-8+,17-9+