6,6-dimethyl-1,9-bis(oxidanyl)-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-9-carboxylic acid

Systemtic Name: 6,6-dimethyl-1,9-bis(oxidanyl)-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-9-carboxylic acid Openeye Name: 1,9-dihydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-9-carboxylic acid CAS Name: 1,9-dihydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c][1]benzopyran-9-carboxylic acid IUPAC Name: 1,9-dihydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-9-carboxylic acid Traditional Name: 3-amyl-1,9-dihydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-9-carboxylic acid Formula: C21H30O5 MolecularWeight: 362.4599

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3CC(CCC3C(O2)(C)C)(C(=O)O)O)C(=C1)O

Isomeric SMILES

CCCCCC1=CC2=C(C3CC(CCC3C(O2)(C)C)(C(=O)O)O)C(=C1)O

InChI

InChI=1S/C21H30O5/c1-4-5-6-7-13-10-16(22)18-14-12-21(25,19(23)24)9-8-15(14)20(2,3)26-17(18)11-13/h10-11,14-15,22,25H,4-9,12H2,1-3H3,(H,23,24)