disodium 7-[1-(4-tert-butylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate

Systemtic Name: disodium 7-[1-(4-tert-butylphenyl)-2,6-bis(oxidanyl)-6-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-8-propyl-chromene-2-carboxylate Openeye Name: disodium 7-[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-oxo-hexyl]sulfanyl-4-oxo-8-propyl-chromene-2-carboxylate CAS Name: disodium 7-[[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-oxohexyl]thio]-4-oxo-8-propyl-1-benzopyran-2-carboxylate IUPAC Name: disodium 7-[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-oxohexyl]sulfanyl-4-oxo-8-propylchromene-2-carboxylate Traditional Name: disodium 7-[[1-(4-tert-butylphenyl)-2,6-dihydroxy-6-keto-hexyl]thio]-4-keto-8-propyl-chromene-2-carboxylate Formula: C58H66Na2O14S2 MolecularWeight: 1097.24578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)[O-])SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)O)O.CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)[O-])SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)O)O.[Na+].[Na+]

Isomeric SMILES

CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)[O-])SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)O)O.CCCC1=C(C=CC2=C1OC(=CC2=O)C(=O)[O-])SC(C3=CC=C(C=C3)C(C)(C)C)C(CCCC(=O)O)O.[Na+].[Na+]

InChI

InChI=1S/2C29H34O7S.2Na/c2*1-5-7-20-24(15-14-19-22(31)16-23(28(34)35)36-26(19)20)37-27(21(30)8-6-9-25(32)33)17-10-12-18(13-11-17)29(2,3)4;;/h2*10-16,21,27,30H,5-9H2,1-4H3,(H,32,33)(H,34,35);;/q;;2*+1/p-2