ethyl 4-sulfooxybenzoate; 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene

Systemtic Name: ethyl 4-sulfooxybenzoate; 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene Openeye Name: ethyl 4-sulfooxybenzoate; 1,1,4,4,6-pentamethyltetralin CAS Name: 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene; 4-sulfooxybenzoic acid ethyl ester IUPAC Name: ethyl 4-sulfooxybenzoate; 1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene Traditional Name: 1,1,4,4,6-pentamethyltetralin; 4-sulfoxybenzoic acid ethyl ester Formula: C24H32O6S MolecularWeight: 448.57228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22.C9H10O6S/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3;1-2-14-9(10)7-3-5-8(6-4-7)15-16(11,12)13/h6-7,10H,8-9H2,1-5H3;3-6H,2H2,1H3,(H,11,12,13)