2,2,4-trimethyl-3-[2-(1-methylcyclohexa-2,5-dien-1-yl)-2-oxidanyl-1-(phenylsulfonyl)ethyl]cyclohex-3-ene-1-carbaldehyde

Systemtic Name: 2,2,4-trimethyl-3-[2-(1-methylcyclohexa-2,5-dien-1-yl)-2-oxidanyl-1-(phenylsulfonyl)ethyl]cyclohex-3-ene-1-carbaldehyde Openeye Name: 3-[1-(benzenesulfonyl)-2-hydroxy-2-(1-methylcyclohexa-2,5-dien-1-yl)ethyl]-2,2,4-trimethyl-cyclohex-3-ene-1-carbaldehyde CAS Name: 3-[1-(benzenesulfonyl)-2-hydroxy-2-(1-methyl-1-cyclohexa-2,5-dienyl)ethyl]-2,2,4-trimethyl-1-cyclohex-3-enecarboxaldehyde IUPAC Name: 3-[1-(benzenesulfonyl)-2-hydroxy-2-(1-methylcyclohexa-2,5-dien-1-yl)ethyl]-2,2,4-trimethylcyclohex-3-ene-1-carbaldehyde Traditional Name: 3-[1-besyl-2-hydroxy-2-(1-methylcyclohexa-2,5-dien-1-yl)ethyl]-2,2,4-trimethyl-cyclohex-3-ene-1-carbaldehyde Formula: C25H32O4S MolecularWeight: 428.58418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1)C=O)(C)C)C(C(C2(C=CCC=C2)C)O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(C(CC1)C=O)(C)C)C(C(C2(C=CCC=C2)C)O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H32O4S/c1-18-13-14-19(17-26)24(2,3)21(18)22(23(27)25(4)15-9-6-10-16-25)30(28,29)20-11-7-5-8-12-20/h5,7-12,15-17,19,22-23,27H,6,13-14H2,1-4H3