2-iodanyl-1-methoxy-6,6-dimethyl-3-(2,5,5-trimethylhexan-2-yl)benzo[c]chromene-9-carboxylic acid

Systemtic Name: 2-iodanyl-1-methoxy-6,6-dimethyl-3-(2,5,5-trimethylhexan-2-yl)benzo[c]chromene-9-carboxylic acid Openeye Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(1,1,4,4-tetramethylpentyl)benzo[c]chromene-9-carboxylic acid CAS Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(2,5,5-trimethylhexan-2-yl)-9-benzo[c][1]benzopyrancarboxylic acid IUPAC Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(2,5,5-trimethylhexan-2-yl)benzo[c]chromene-9-carboxylic acid Traditional Name: 2-iodo-1-methoxy-6,6-dimethyl-3-(1,1,4,4-tetramethylpentyl)benzo[c]chromene-9-carboxylic acid Formula: C26H33IO4 MolecularWeight: 536.44229

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=C(C=C2)C(=O)O)C3=C(O1)C=C(C(=C3OC)I)C(C)(C)CCC(C)(C)C)C

Isomeric SMILES

CC1(C2=C(C=C(C=C2)C(=O)O)C3=C(O1)C=C(C(=C3OC)I)C(C)(C)CCC(C)(C)C)C

InChI

InChI=1S/C26H33IO4/c1-24(2,3)11-12-25(4,5)18-14-19-20(22(30-8)21(18)27)16-13-15(23(28)29)9-10-17(16)26(6,7)31-19/h9-10,13-14H,11-12H2,1-8H3,(H,28,29)