4-[2-(aminomethyl)phenyl]sulfanylphenol; (Z)-but-2-enedioic acid; hydrate

Systemtic Name: 4-[2-(aminomethyl)phenyl]sulfanylphenol; (Z)-but-2-enedioic acid; hydrate Openeye Name: 4-[2-(aminomethyl)phenyl]sulfanylphenol; maleic acid; hydrate CAS Name: 4-[[2-(aminomethyl)phenyl]thio]phenol; (Z)-2-butenedioic acid; hydrate IUPAC Name: 4-[2-(aminomethyl)phenyl]sulfanylphenol; (Z)-but-2-enedioic acid; hydrate Traditional Name: 4-[[2-(aminomethyl)phenyl]thio]phenol; maleic acid; hydrate Formula: C34H36N2O11S2 MolecularWeight: 712.78644

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CN)SC2=CC=C(C=C2)O.C1=CC=C(C(=C1)CN)SC2=CC=C(C=C2)O.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O.O

Isomeric SMILES

C1=CC=C(C(=C1)CN)SC2=CC=C(C=C2)O.C1=CC=C(C(=C1)CN)SC2=CC=C(C=C2)O.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O.O

InChI

InChI=1S/2C13H13NOS.2C4H4O4.H2O/c2*14-9-10-3-1-2-4-13(10)16-12-7-5-11(15)6-8-12;2*5-3(6)1-2-4(7)8;/h2*1-8,15H,9,14H2;2*1-2H,(H,5,6)(H,7,8);1H2/b;;2*2-1-;