4-methyl-4-phenyl-1-(1-prop-1-ynylcyclohexyl)cyclohexa-2,5-diene-1-sulfonic acid

Systemtic Name: 4-methyl-4-phenyl-1-(1-prop-1-ynylcyclohexyl)cyclohexa-2,5-diene-1-sulfonic acid Openeye Name: 4-methyl-4-phenyl-1-(1-prop-1-ynylcyclohexyl)cyclohexa-2,5-diene-1-sulfonic acid CAS Name: 4-methyl-4-phenyl-1-(1-prop-1-ynylcyclohexyl)-1-cyclohexa-2,5-dienesulfonic acid IUPAC Name: 4-methyl-4-phenyl-1-(1-prop-1-ynylcyclohexyl)cyclohexa-2,5-diene-1-sulfonic acid Traditional Name: 4-methyl-4-phenyl-1-(1-prop-1-ynylcyclohexyl)cyclohexa-2,5-diene-1-sulfonic acid Formula: C22H26O3S MolecularWeight: 370.50504

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1(CCCCC1)C2(C=CC(C=C2)(C)C3=CC=CC=C3)S(=O)(=O)O

Isomeric SMILES

CC#CC1(CCCCC1)C2(C=CC(C=C2)(C)C3=CC=CC=C3)S(=O)(=O)O

InChI

InChI=1S/C22H26O3S/c1-3-12-21(13-8-5-9-14-21)22(26(23,24)25)17-15-20(2,16-18-22)19-10-6-4-7-11-19/h4,6-7,10-11,15-18H,5,8-9,13-14H2,1-2H3,(H,23,24,25)