1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene; 4-sulfooxybenzoic acid

Systemtic Name: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene; 4-sulfooxybenzoic acid Openeye Name: 1,1,4,4,6-pentamethyltetralin; 4-sulfooxybenzoic acid CAS Name: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene; 4-sulfooxybenzoic acid IUPAC Name: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene; 4-sulfooxybenzoic acid Traditional Name: 1,1,4,4,6-pentamethyltetralin; 4-sulfoxybenzoic acid Formula: C22H28O6S MolecularWeight: 420.51912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(CCC2(C)C)(C)C.C1=CC(=CC=C1C(=O)O)OS(=O)(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(CCC2(C)C)(C)C.C1=CC(=CC=C1C(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C15H22.C7H6O6S/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;8-7(9)5-1-3-6(4-2-5)13-14(10,11)12/h6-7,10H,8-9H2,1-5H3;1-4H,(H,8,9)(H,10,11,12)