4-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-5-methoxycarbonyl-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonic acid

Systemtic Name: 4-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-5-methoxycarbonyl-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonic acid Openeye Name: 4-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-5-methoxycarbonyl-3,3-dimethyl-indolin-1-yl]butane-1-sulfonic acid CAS Name: 4-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-5-methoxycarbonyl-3,3-dimethyl-2H-indol-1-yl]-1-butanesulfonic acid IUPAC Name: 4-[2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-5-methoxycarbonyl-3,3-dimethyl-2H-indol-1-yl]butane-1-sulfonic acid Traditional Name: 4-[5-carbomethoxy-2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3,3-dimethyl-indolin-1-yl]butane-1-sulfonic acid Formula: C23H31NO5S MolecularWeight: 433.56094

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC=CC=CC1C(C2=C(N1CCCCS(=O)(=O)O)C=CC(=C2)C(=O)OC)(C)C

Isomeric SMILES

C/C=C/C=C/C=C/C1C(C2=C(N1CCCCS(=O)(=O)O)C=CC(=C2)C(=O)OC)(C)C

InChI

InChI=1S/C23H31NO5S/c1-5-6-7-8-9-12-21-23(2,3)19-17-18(22(25)29-4)13-14-20(19)24(21)15-10-11-16-30(26,27)28/h5-9,12-14,17,21H,10-11,15-16H2,1-4H3,(H,26,27,28)/b6-5+,8-7+,12-9+