4-[4-[5-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-2,5,6-trimethyl-phenoxy]carbonyl-4-methoxy-phenyl]sulfanyl-2-methoxy-phenyl]carbonyloxy-2-methoxy-3,5,6-trimethyl-phenyl]carbonyloxy-2-methoxy-3,5,6-trimethyl-benzoic acid

Systemtic Name: 4-[4-[5-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-2,5,6-trimethyl-phenoxy]carbonyl-4-methoxy-phenyl]sulfanyl-2-methoxy-phenyl]carbonyloxy-2-methoxy-3,5,6-trimethyl-phenyl]carbonyloxy-2-methoxy-3,5,6-trimethyl-benzoic acid Openeye Name: 4-[4-[5-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-2,5,6-trimethyl-phenoxy]carbonyl-4-methoxy-phenyl]sulfanyl-2-methoxy-benzoyl]oxy-2-methoxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,5,6-trimethyl-benzoic acid CAS Name: 4-[[4-[[5-[[3-[[4-[(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)-oxomethyl]-3-methoxy-2,5,6-trimethylphenoxy]-oxomethyl]-4-methoxyphenyl]thio]-2-methoxyphenyl]-oxomethoxy]-2-methoxy-3,5,6-trimethylphenyl]-oxomethoxy]-2-methoxy-3,5,6-trimethylbenzoic acid IUPAC Name: 4-[4-[5-[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethylphenoxy)carbonyl-3-methoxy-2,5,6-trimethylphenoxy]carbonyl-4-methoxyphenyl]sulfanyl-2-methoxybenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoyl]oxy-2-methoxy-3,5,6-trimethylbenzoic acid Traditional Name: 4-[4-[5-[[3-[4-(4-carboxy-3-methoxy-2,5,6-trimethyl-phenoxy)carbonyl-3-methoxy-2,5,6-trimethyl-phenoxy]carbonyl-4-methoxy-phenyl]thio]-2-methoxy-benzoyl]oxy-2-methoxy-3,5,6-trimethyl-benzoyl]oxy-2-methoxy-3,5,6-trimethyl-benzoic acid Formula: C60H62O18S MolecularWeight: 1103.18848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2OC)C)OC(=O)C3=C(C=CC(=C3)SC4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)OC)C(=O)OC6=C(C(=C(C(=C6C)OC)C(=O)O)C)C)C)C)OC)C)C)C)OC)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2OC)C)OC(=O)C3=C(C=CC(=C3)SC4=CC(=C(C=C4)OC)C(=O)OC5=C(C(=C(C(=C5C)OC)C(=O)OC6=C(C(=C(C(=C6C)OC)C(=O)O)C)C)C)C)OC)C)C)C)OC)C(=O)O

InChI

InChI=1S/C60H62O18S/c1-25-29(5)49(33(9)51(71-15)43(25)55(61)62)77-59(67)45-27(3)31(7)47(35(11)53(45)73-17)75-57(65)39-23-37(19-21-41(39)69-13)79-38-20-22-42(70-14)40(24-38)58(66)76-48-32(8)28(4)46(54(74-18)36(48)12)60(68)78-50-30(6)26(2)44(56(63)64)52(72-16)34(50)10/h19-24H,1-18H3,(H,61,62)(H,63,64)