1-[6,6-dimethyl-10a-(2-methyloctan-2-yl)-1-oxidanyl-7,10-dihydro-6aH-benzo[c]chromen-9-yl]ethanethiolate

Systemtic Name: 1-[6,6-dimethyl-10a-(2-methyloctan-2-yl)-1-oxidanyl-7,10-dihydro-6aH-benzo[c]chromen-9-yl]ethanethiolate Openeye Name: 1-[10a-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-7,10-dihydro-6aH-benzo[c]chromen-9-yl]ethanethiolate CAS Name: 1-[1-hydroxy-6,6-dimethyl-10a-(2-methyloctan-2-yl)-7,10-dihydro-6aH-benzo[c][1]benzopyran-9-yl]ethanethiolate IUPAC Name: 1-[1-hydroxy-6,6-dimethyl-10a-(2-methyloctan-2-yl)-7,10-dihydro-6aH-benzo[c]chromen-9-yl]ethanethiolate Traditional Name: 1-[10a-(1,1-dimethylheptyl)-1-hydroxy-6,6-dimethyl-7,10-dihydro-6aH-benzo[c]chromen-9-yl]ethanethiolate Formula: C26H39O2S- MolecularWeight: 415.65166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C12CC(=CCC1C(OC3=C2C(=CC=C3)O)(C)C)C(C)[S-]

Isomeric SMILES

CCCCCCC(C)(C)C12CC(=CCC1C(OC3=C2C(=CC=C3)O)(C)C)C(C)[S-]

InChI

InChI=1S/C26H40O2S/c1-7-8-9-10-16-24(3,4)26-17-19(18(2)29)14-15-22(26)25(5,6)28-21-13-11-12-20(27)23(21)26/h11-14,18,22,27,29H,7-10,15-17H2,1-6H3/p-1