(Z)-but-2-enedioic acid; 10-[12-(4-methylpiperazin-1-yl)dodecyl]phenothiazine

Systemtic Name: (Z)-but-2-enedioic acid; 10-[12-(4-methylpiperazin-1-yl)dodecyl]phenothiazine Openeye Name: maleic acid; 10-[12-(4-methylpiperazin-1-yl)dodecyl]phenothiazine CAS Name: (Z)-2-butenedioic acid; 10-[12-(4-methyl-1-piperazinyl)dodecyl]phenothiazine IUPAC Name: (Z)-but-2-enedioic acid; 10-[12-(4-methylpiperazin-1-yl)dodecyl]phenothiazine Traditional Name: maleic acid; 10-[12-(4-methylpiperazino)dodecyl]phenothiazine Formula: C37H51N3O8S MolecularWeight: 697.88114

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCCCCCCCCCN2C3=CC=CC=C3SC4=CC=CC=C42.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN1CCN(CC1)CCCCCCCCCCCCN2C3=CC=CC=C3SC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O

InChI

InChI=1S/C29H43N3S.2C4H4O4/c1-30-22-24-31(25-23-30)20-14-8-6-4-2-3-5-7-9-15-21-32-26-16-10-12-18-28(26)33-29-19-13-11-17-27(29)32;2*5-3(6)1-2-4(7)8/h10-13,16-19H,2-9,14-15,20-25H2,1H3;2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-