iron; [11,23,35-triacetamido-4,16,28-trimethyl-18,30-bis(oxidaniumylidene)-7,19,31-tris(oxidanyl)-12,24,36-tris(oxidanylidene)-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-6-ylidene]oxidanium

Systemtic Name: iron; [11,23,35-triacetamido-4,16,28-trimethyl-18,30-bis(oxidaniumylidene)-7,19,31-tris(oxidanyl)-12,24,36-tris(oxidanylidene)-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-6-ylidene]oxidanium Openeye Name: iron; (11,23,35-triacetamido-7,19,31-trihydroxy-4,16,28-trimethyl-12,24,36-trioxo-18,30-dioxoniumylidene-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-6-ylidene)oxonium CAS Name: iron; (11,23,35-triacetamido-7,19,31-trihydroxy-4,16,28-trimethyl-12,24,36-trioxo-18,30-dioxoniumylidene-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-6-ylidene)oxonium IUPAC Name: iron; (11,23,35-triacetamido-7,19,31-trihydroxy-4,16,28-trimethyl-12,24,36-trioxo-18,30-dioxoniumylidene-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-6-ylidene)oxidanium Traditional Name: iron; (11,23,35-triacetamido-7,19,31-trihydroxy-12,24,36-triketo-4,16,28-trimethyl-18,30-dioxoniumylidene-1,13,25-trioxa-7,19,31-triazacyclohexatriaconta-4,16,28-trien-6-ylidene)oxonium Formula: C39H63FeN6O15+3 MolecularWeight: 911.79372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[OH+])N(CCCC(C(=O)OCCC(=CC(=[OH+])N(CCCC(C(=O)OCCC(=CC(=[OH+])N(CCCC(C(=O)OCC1)NC(=O)C)O)C)NC(=O)C)O)C)NC(=O)C)O.[Fe]

Isomeric SMILES

CC1=CC(=[OH+])N(CCCC(C(=O)OCCC(=CC(=[OH+])N(CCCC(C(=O)OCCC(=CC(=[OH+])N(CCCC(C(=O)OCC1)NC(=O)C)O)C)NC(=O)C)O)C)NC(=O)C)O.[Fe]

InChI

InChI=1S/C39H60N6O15.Fe/c1-25-13-19-58-37(52)31(40-28(4)46)11-8-17-44(56)35(50)23-27(3)15-21-60-39(54)33(42-30(6)48)12-9-18-45(57)36(51)24-26(2)14-20-59-38(53)32(41-29(5)47)10-7-16-43(55)34(49)22-25;/h22-24,31-33,55-57H,7-21H2,1-6H3,(H,40,46)(H,41,47)(H,42,48);/p+3