1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

3-[18-(2-carboxylatoethyl)-8,13-bis(ethenyl)-3,7,12,17-tetramethyl-22,23-dihydroporphyrin-2-yl]propanoate;tin(4+);dichloride

2.1.2 InChI

InChI=1S/C34H34N4O4.2ClH.Sn/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;;/h7-8,13-16,35-36H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);2*1H;/q;;;+4/p-4

2.1.3 InChI Key

DIGRQACNWXLNFN-UHFFFAOYSA-J

2.2 Other Identifiers

2.2.1 UNII

DIO3JT9G2P

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Stannic Protoporfin [inn]

2. Stannic Protoporfin [usan]

3. Dihydrogen (oc-6-13)-dichloro[7,12-diethenyl-3,8,13,17-tetramethylporphyrin-2,18-dipropionato(4-)-n21,n22,n23,n24]stannate(2-)-

4. Stannate(2-), Dichloro[7,12-diethenyl-3,8,13,17-tetramethyl-21h,23h-porphine-2,18-dipropanoato(4-)-kappa21,kappan22,kappan23,kappan24]-, Hydrogen (1:2), (oc-6-13)-

2.4 Create Date

2019-06-20

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₂Cl₂N₄O₄Sn
Molecular Weight	750.3 g/mol
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	138
Heavy Atom Count	45
Formal Charge	0
Complexity	995
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4

Stannic Protoporfin

Stannic Protoporfin

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