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(E)-but-2-enedioic acid; 4-phenothiazin-10-ylbutan-1-amine

(E)-but-2-enedioic acid; 4-phenothiazin-10-ylbutan-1-amine

Systemtic Name:(E)-but-2-enedioic acid; 4-phenothiazin-10-ylbutan-1-amine
Openeye Name:fumaric acid; 4-phenothiazin-10-ylbutan-1-amine
CAS Name:(E)-2-butenedioic acid; 4-(10-phenothiazinyl)-1-butanamine
IUPAC Name:(E)-but-2-enedioic acid; 4-phenothiazin-10-ylbutan-1-amine
Traditional Name:fumaric acid; 4-phenothiazin-10-ylbutylamine
Formula: C20H22N2O4S
MolecularWeight: 386.46468
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCN.C(=CC(=O)O)C(=O)O


Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCN.C(=C/C(=O)O)\C(=O)O


InChI

InChI=1S/C16H18N2S.C4H4O4/c17-11-5-6-12-18-13-7-1-3-9-15(13)19-16-10-4-2-8-14(16)18;5-3(6)1-2-4(7)8/h1-4,7-10H,5-6,11-12,17H2;1-2H,(H,5,6)(H,7,8)/b;2-1+


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