3-[(2E)-2-[[(3E)-2-chloranyl-3-ethylidene-cyclohexen-1-yl]methylidene]-3,3-dimethyl-indol-1-yl]propane-1-sulfonate

Systemtic Name: 3-[(2E)-2-[[(3E)-2-chloranyl-3-ethylidene-cyclohexen-1-yl]methylidene]-3,3-dimethyl-indol-1-yl]propane-1-sulfonate Openeye Name: 3-[(2E)-2-[[(3E)-2-chloro-3-ethylidene-cyclohexen-1-yl]methylene]-3,3-dimethyl-indolin-1-yl]propane-1-sulfonate CAS Name: 3-[(2E)-2-[[(3E)-2-chloro-3-ethylidene-1-cyclohexenyl]methylidene]-3,3-dimethyl-1-indolyl]-1-propanesulfonate IUPAC Name: 3-[(2E)-2-[[(3E)-2-chloro-3-ethylidenecyclohexen-1-yl]methylidene]-3,3-dimethylindol-1-yl]propane-1-sulfonate Traditional Name: 3-[(2E)-2-[[(3E)-2-chloro-3-ethylidene-cyclohexen-1-yl]methylene]-3,3-dimethyl-indolin-1-yl]propane-1-sulfonate Formula: C22H27ClNO3S- MolecularWeight: 420.97268

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Descriptors Computed from Structure

Canonical SMILES:

CC=C1CCCC(=C1Cl)C=C2C(C3=CC=CC=C3N2CCCS(=O)(=O)[O-])(C)C

Isomeric SMILES

C/C=C/1\CCCC(=C1Cl)/C=C/2\C(C3=CC=CC=C3N2CCCS(=O)(=O)[O-])(C)C

InChI

InChI=1S/C22H28ClNO3S/c1-4-16-9-7-10-17(21(16)23)15-20-22(2,3)18-11-5-6-12-19(18)24(20)13-8-14-28(25,26)27/h4-6,11-12,15H,7-10,13-14H2,1-3H3,(H,25,26,27)/p-1/b16-4+,20-15+