6,6-dimethyl-3-(2-methyloctan-2-yl)-1-oxidanyl-benzo[c]chromene-9-carboxylic acid

Systemtic Name: 6,6-dimethyl-3-(2-methyloctan-2-yl)-1-oxidanyl-benzo[c]chromene-9-carboxylic acid Openeye Name: 3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid CAS Name: 1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)-9-benzo[c][1]benzopyrancarboxylic acid IUPAC Name: 1-hydroxy-6,6-dimethyl-3-(2-methyloctan-2-yl)benzo[c]chromene-9-carboxylic acid Traditional Name: 3-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-benzo[c]chromene-9-carboxylic acid Formula: C25H32O4 MolecularWeight: 396.51918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC2=C(C(=C1)O)C3=C(C=CC(=C3)C(=O)O)C(O2)(C)C

Isomeric SMILES

CCCCCCC(C)(C)C1=CC2=C(C(=C1)O)C3=C(C=CC(=C3)C(=O)O)C(O2)(C)C

InChI

InChI=1S/C25H32O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10-11,13-15,26H,6-9,12H2,1-5H3,(H,27,28)