2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; phenylsulfanylbenzene

Systemtic Name: 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; phenylsulfanylbenzene Openeye Name: 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; phenylsulfanylbenzene CAS Name: 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; (phenylthio)benzene IUPAC Name: 2-[(2,5-dicarboxyphenyl)methoxymethyl]terephthalic acid; phenylsulfanylbenzene Traditional Name: 2-[(2,5-dicarboxybenzyl)oxymethyl]terephthalic acid; (phenylthio)benzene Formula: C48H38O18S MolecularWeight: 934.86952

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=CC=C2.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O.C1=CC(=C(C=C1C(=O)O)COCC2=C(C=CC(=C2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/2C18H14O9.C12H10S/c2*19-15(20)9-1-3-13(17(23)24)11(5-9)7-27-8-12-6-10(16(21)22)2-4-14(12)18(25)26;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h2*1-6H,7-8H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26);1-10H